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Benzoxadiazoles
Description:
Organic compounds containing a benzene fused to an oxadiazole ring (a five-membered ring with two carbon atoms, one nitrogen atom, and one oxygen atom).
Ancestors:
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5-Bromomethyl-2,1,3-benzoxadiazoleCas Number: 32863-31-3Formula: C7H5N2OBr Molecular Weight: 213.03IUPAC Name: 5-(bromomethyl)-2,1,3-benzoxadiazoleSMILES: C1=CC2=NON=C2C=C1CBrInChIKey: BUJFLTNYWUEROF-UHFFFAOYSA-NInChI: InChI=1S/C7H5BrN2O/c8-4-5-1-2-6-7(3-5)10-11-9-6/h1-3H,4H2Synonyms: 5-Bromomethyl-benzo[1,2,5]oxadiazole | 5-(Bromomethyl)benzo[2,1,3]oxadiazole | 5-bromomethylbenzofurazane | A26193 | ... -
4-Fluoro-7-nitrobenzofurazanCas Number: 29270-56-2Formula: C6H2FN3O3 Molecular Weight: 183.1IUPAC Name: 4-fluoro-7-nitro-2,1,3-benzoxadiazoleSMILES: C1=C(C2=NON=C2C(=C1)F)[N+](=O)[O-]InChIKey: PGZIDERTDJHJFY-UHFFFAOYSA-NInChI: InChI=1S/C6H2FN3O3/c7-3-1-2-4(10(11)12)6-5(3)8-13-9-6/h1-2HSynonyms: NBD-F | AM85705 | FDLYAMZZIXQODN-UHFFFAOYSA-N | CS-7995 | GS-3328 | s10237 | UNII-L5VS78SU5J | 4-fluoro-7-nitrobenz-2... -
4-Chloro-7-sulfobenzofurazan ammonium saltCas Number: 81377-14-2Formula: C6H3ClN2O4S•NH3 Molecular Weight: 234.621804IUPAC Name: azane;4-chloro-2,1,3-benzoxadiazole-7-sulfonic acidSMILES: C1=C(C2=NON=C2C(=C1)Cl)S(=O)(=O)O.NInChIKey: QFHXPBLOMHGYOC-UHFFFAOYSA-NInChI: InChI=1S/C6H3ClN2O4S.H3N/c7-3-1-2-4(14(10,11)12)6-5(3)8-13-9-6;/h1-2H,(H,10,11,12);1H3Synonyms: azane;4-chloro-2,1,3-benzoxadiazole-7-sulfonic acid | SCHEMBL591654 | AKOS015902668 | ammonia; 4-chloro-2,1,3-benzoxa...
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(S)-(+)-NBD-Py-NCS [=(S)-(+)-4-(3-Isothiocyanatopyrrolidin-1-yl)-7-nitro-2,1,3-benzoxadiazole] [HPLC Labeling Reagent for e.e. Determination]Cas Number: 163927-30-8 Compound CID: 16218824Formula: C11H9N5O3S Molecular Weight: 291.29IUPAC Name: 7-[(3S)-3-isothiocyanatopyrrolidin-1-yl]-4-nitro-2,1,3-benzoxadiazoleSMILES: C1CN(CC1N=C=S)C2=CC=C(C3=NON=C23)[N+](=O)[O-]InChIKey: CHKCHHTYBXOUKH-ZETCQYMHSA-NInChI: InChI=1S/C11H9N5O3S/c17-16(18)9-2-1-8(10-11(9)14-19-13-10)15-4-3-7(5-15)12-6-20/h1-2,7H,3-5H2/t7-/m0/s1Synonyms: 4-[(3S)-3-Isothiocyanatopyrrolidin-1-yl]-7-nitro-2,1,3-benzoxadiazole | AS-72786 | AKOS037647197 | (S)-(+)-4-(3-Isoth...
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(S)-(+)-4-(3-Amino-pyrrolidino)-7-nitrobenzofurazanCas Number: 143112-52-1Formula: C10H11N5O3 Molecular Weight: 249.23IUPAC Name: (3S)-1-(4-nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidin-3-amineSMILES: C1CN(CC1N)C2=CC=C(C3=NON=C23)[N+](=O)[O-]InChIKey: QSDDQXROWUJAJX-LURJTMIESA-NInChI: InChI=1S/C10H11N5O3/c11-6-3-4-14(5-6)7-1-2-8(15(16)17)10-9(7)12-18-13-10/h1-2,6H,3-5,11H2/t6-/m0/s1Synonyms: (3S)-1-(4-nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidin-3-amine | TQP1002 | (S)-(+)-4-Nitro-7-(3-aminopyrrolidin-1-yl)-2,...
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(R)-(-)-DBD-Py-NCS [=(R)-(-)-4-(N,N-Dimethylaminosulfonyl)-7-(3-isothiocyanatopyrrolidin-1-yl)-2,1,3-benzoxadiazole] [for HPLC Labeling]Cas Number: 163927-31-9 Compound CID: 16217521Formula: C13H15N5O3S2 Molecular Weight: 353.42IUPAC Name: 7-[(3R)-3-isothiocyanatopyrrolidin-1-yl]-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamideSMILES: CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N3CCC(C3)N=C=SInChIKey: YMXYIIXTKUQWPC-SECBINFHSA-NInChI: InChI=1S/C13H15N5O3S2/c1-17(2)23(19,20)11-4-3-10(12-13(11)16-21-15-12)18-6-5-9(7-18)14-8-22/h3-4,9H,5-7H2,1-2H3/t9-/m1/s1Synonyms: (R)-(-)-1-[7-(Dimethylaminosulfonyl)benzofurazan-4-yl]pyrrolidin-3-yl isothiocyanate | (R)-(-)-4-(N,N-Dimethylaminosu...
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(R)-(-)-NBD-APy [=(R)-(-)-4-Nitro-7-(3-aminopyrrolidin-1-yl)-2,1,3-benzoxadiazole] [HPLC Labeling Reagent for e.e. Determination]Cas Number: 143112-51-0Formula: C10H11N5O3 Molecular Weight: 249.23IUPAC Name: (3R)-1-(4-nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidin-3-amineSMILES: C1CN(CC1N)C2=CC=C(C3=NON=C23)[N+](=O)[O-]InChIKey: QSDDQXROWUJAJX-ZCFIWIBFSA-NInChI: InChI=1S/C10H11N5O3/c11-6-3-4-14(5-6)7-1-2-8(15(16)17)10-9(7)12-18-13-10/h1-2,6H,3-5,11H2/t6-/m1/s1Synonyms: CS-0337274 | (R)-(-)-4-Nitro-7-(3-aminopyrrolidin-1-yl)benzofurazan | (R)-(-)-NBD-APY [=(R)-(-)-4-NITRO-7-(3-AMINOPYR...
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Succinimidyl 6-[[7-(N,N-Dimethylaminosulfonyl)-2,1,3-benzoxadiazol-4-yl]amino]hexanoateCas Number: 1858255-08-9 Compound CID: 44629781Formula: C18H23N5O7S Molecular Weight: 453.47IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 6-[[4-(dimethylsulfamoyl)-2,1,3-benzoxadiazol-7-yl]amino]hexanoateSMILES: CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)NCCCCCC(=O)ON3C(=O)CCC3=OInChIKey: MMPAJYBUTABRFE-UHFFFAOYSA-NInChI: InChI=1S/C18H23N5O7S/c1-22(2)31(27,28)13-8-7-12(17-18(13)21-30-20-17)19-11-5-3-4-6-16(26)29-23-14(24)9-10-15(23)25/h7-8,19H,3-6,9-11H2,1-2H3Synonyms: CS-0359002 | SCHEMBL3629087 | Hexanoic acid, 6-[[7-[(dimethylamino)sulfonyl]-2,1,3-benzoxadiazol-4-yl]amino]-, 2,5-di...
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DBD-NCS [=4-(N,N-Dimethylaminosulfonyl)-7-isothiocyanato-2,1,3-benzoxadiazole] [for HPLC Labeling and Edman Degradation]Cas Number: 147611-81-2Formula: C9H8N4O3S2 Molecular Weight: 284.31IUPAC Name: 7-isothiocyanato-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamideSMILES: CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N=C=SInChIKey: SUOZAUUDBKHLHQ-UHFFFAOYSA-NInChI: InChI=1S/C9H8N4O3S2/c1-13(2)18(14,15)7-4-3-6(10-5-17)8-9(7)12-16-11-8/h3-4H,1-2H3Synonyms: DBD-NCS [=4-(N,N-Dimethylaminosulfonyl)-7-isothiocyanato-2,1,3-benzoxadiazole] [for HPLC Labeling and Edman Degradati...
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DAABD-ClCas Number: 664985-43-7Formula: C10H13ClN4O3S Molecular Weight: 304.75IUPAC Name: 4-chloro-N-[2-(dimethylamino)ethyl]-2,1,3-benzoxadiazole-7-sulfonamideSMILES: CN(C)CCNS(=O)(=O)C1=CC=C(C2=NON=C12)ClInChIKey: RJEYFWVHUXSWTA-UHFFFAOYSA-NInChI: InChI=1S/C10H13ClN4O3S/c1-15(2)6-5-12-19(16,17)8-4-3-7(11)9-10(8)14-18-13-9/h3-4,12H,5-6H2,1-2H3Synonyms: 7-Chloro-N-(2-(dimethylamino)ethyl)benzo[c][1,2,5]oxadiazole-4-sulfonamide | 4-[2-(Dimethylamino)ethylaminosulfonyl]-...
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6-[[7-(N,N-Dimethylaminosulfonyl)-2,1,3-benzoxadiazol-4-yl]amino]hexanoic AcidCas Number: 1820741-40-9 Compound CID: 44629791Formula: C14H20N4O5S Molecular Weight: 356.4IUPAC Name: 6-[[4-(dimethylsulfamoyl)-2,1,3-benzoxadiazol-7-yl]amino]hexanoic acidSMILES: CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)NCCCCCC(=O)OInChIKey: ODEWENLZBOAUCF-UHFFFAOYSA-NInChI: InChI=1S/C14H20N4O5S/c1-18(2)24(21,22)11-8-7-10(13-14(11)17-23-16-13)15-9-5-3-4-6-12(19)20/h7-8,15H,3-6,9H2,1-2H3,(H,19,20)Synonyms: 4-(5-Carboxypentylamino)-7-(|N|,|N|-dimethylaminosulfonyl)-2,1,3-benzoxadiazole
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2-[N-(7-Nitrobenz-2-oxa-1,3-diazol-4-yl)amino]-2-deoxy-D-glucose（2-NBDG）Cas Number: 186689-07-6Formula: C12H14N4O8 Molecular Weight: 342.26IUPAC Name: (2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanalSMILES: C1=C(C2=NON=C2C(=C1)[N+](=O)[O-])NC(C=O)C(C(C(CO)O)O)OInChIKey: QUTFFEUUGHUPQC-ILWYWAAHSA-NInChI: InChI=1S/C12H14N4O8/c17-3-6(11(20)12(21)8(19)4-18)13-5-1-2-7(16(22)23)10-9(5)14-24-15-10/h1-3,6,8,11-13,18-21H,4H2/t6-,8+,11+,12+/m0/s1Synonyms: 2-NBDG | UNII-JE4F4P486R | MolMap_000037 | PD102201 | HY-116215 | JE4F4P486R | 2-(N-(7-nitrobenz-2-oxa-1,3-diazol-4-y...
