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Nitrobenzenes
Description:
Compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
Ancestors:
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2-Methoxy-3-nitrobenzamideCas Number: 722538-98-9Formula: C8H8N2O4 Molecular Weight: 196.1601SMILES: COC1=C(C=CC=C1[N+](=O)[O-])C(=O)NInChIKey: VGIYIBRECHOFLC-UHFFFAOYSA-NInChI: InChI=1S/C8H8N2O4/c1-14-7-5(8(9)11)3-2-4-6(7)10(12)13/h2-4H,1H3,(H2,9,11) -
2-Fluoro-4-hydroxy-5-nitrobenzaldehydeCas Number: 394-34-3 Compound CID: 86664217Formula: C7H4FNO4 Molecular Weight: 185.11IUPAC Name: 2-fluoro-4-hydroxy-5-nitrobenzaldehydeSMILES: C1=C(C(=CC(=C1[N+](=O)[O-])O)F)C=OInChIKey: OKOHNWCMTKVWQB-UHFFFAOYSA-NInChI: InChI=1S/C7H4FNO4/c8-5-2-7(11)6(9(12)13)1-4(5)3-10/h1-3,11H
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1，3-Propanediol， 2-amino-1-(4-nitrophenyl)-Cas Number: 119-62-0 Compound CID: 92743Formula: C9H12N2O4 Molecular Weight: 212.21IUPAC Name: 2-amino-1-(4-nitrophenyl)propane-1,3-diolSMILES: C1=CC(=CC=C1C(C(CO)N)O)[N+](=O)[O-]InChIKey: OCYJXSUPZMNXEN-UHFFFAOYSA-NInChI: InChI=1S/C9H12N2O4/c10-8(5-12)9(13)6-1-3-7(4-2-6)11(14)15/h1-4,8-9,12-13H,5,10H2
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1-(4-NITROPHENOXY)PROPAN-2-ONECas Number: 6698-72-2Formula: C9H9NO4 Molecular Weight: 195.17SMILES: CC(=O)COC1=CC=C(C=C1)[N+](=O)[O-]InChIKey: BTPOVNGEGQQHIV-UHFFFAOYSA-NInChI: InChI=1S/C9H9NO4/c1-7(11)6-14-9-4-2-8(3-5-9)10(12)13/h2-5H,6H2,1H3
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1-Fluoro-2，5-dimethyl-4-nitrobenzeneCas Number: 1736-88-5 Compound CID: 23234438Formula: C8H8FNO2 Molecular Weight: 169.15IUPAC Name: 1-fluoro-2,5-dimethyl-4-nitrobenzeneSMILES: CC1=CC(=C(C=C1F)C)[N+](=O)[O-]InChIKey: VUOPPDPBZDVFHW-UHFFFAOYSA-NInChI: InChI=1S/C8H8FNO2/c1-5-4-8(10(11)12)6(2)3-7(5)9/h3-4H,1-2H3
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methyl 2-methyl-2-(4-nitrophenyl)propanoateCas Number: 59115-08-1Formula: C11H13NO4 Molecular Weight: 223.08SMILES: CC(C)(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)OCInChIKey: HSQIFLIPJUZWEO-UHFFFAOYSA-NInChI: InChI=1S/C11H13NO4/c1-11(2,10(13)16-3)8-4-6-9(7-5-8)12(14)15/h4-7H,1-3H3
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methyl 2-methyl-2-(3-nitrophenyl)propanoateCas Number: 103797-22-4Formula: C11H13NO4 Molecular Weight: 223.08SMILES: CC(C)(C1=CC(=CC=C1)[N+](=O)[O-])C(=O)OCInChIKey: UXYZPBKSIFDTJL-UHFFFAOYSA-NInChI: InChI=1S/C11H13NO4/c1-11(2,10(13)16-3)8-5-4-6-9(7-8)12(14)15/h4-7H,1-3H3
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N-Methyl-1-(4-nitrophenyl)methanesulfonamideCas Number: 85952-29-0 Compound CID: 703312Formula: C8H10N2O4S Molecular Weight: 230.24IUPAC Name: N-methyl-1-(4-nitrophenyl)methanesulfonamideSMILES: CNS(=O)(=O)CC1=CC=C(C=C1)[N+](=O)[O-]InChIKey: KZWPBAASZYQWIV-UHFFFAOYSA-NInChI: InChI=1S/C8H10N2O4S/c1-9-15(13,14)6-7-2-4-8(5-3-7)10(11)12/h2-5,9H,6H2,1H3
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Ethyl 2-((2，6-difluorobenzyl)(ethoxycarbonyl)amino)-4-methyl-5-(4-nitrophenyl)thiophene-3-carboxylateCas Number: 308831-94-9 Compound CID: 18324799Formula: C24H22F2N2O6S Molecular Weight: 504.5IUPAC Name: ethyl 2-[(2,6-difluorophenyl)methyl-ethoxycarbonylamino]-4-methyl-5-(4-nitrophenyl)thiophene-3-carboxylateSMILES: CCOC(=O)C1=C(SC(=C1C)C2=CC=C(C=C2)[N+](=O)[O-])N(CC3=C(C=CC=C3F)F)C(=O)OCCInChIKey: VEQKKZQAOCWPKO-UHFFFAOYSA-NInChI: InChI=1S/C24H22F2N2O6S/c1-4-33-23(29)20-14(3)21(15-9-11-16(12-10-15)28(31)32)35-22(20)27(24(30)34-5-2)13-17-18(25)7-6-8-19(17)26/h6-12H,4-5,13H2,1-3H3
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5-Fluoro-3-nitrobenzene-1，2-diamineCas Number: 170098-85-8 Compound CID: 15429090Formula: C6H6FN3O2 Molecular Weight: 171.13IUPAC Name: 5-fluoro-3-nitrobenzene-1,2-diamineSMILES: C1=C(C=C(C(=C1N)N)[N+](=O)[O-])FInChIKey: ZSMCJPBOBDFJHM-UHFFFAOYSA-NInChI: InChI=1S/C6H6FN3O2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H,8-9H2
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4-Methoxy-3-nitrobenzoyl chlorideCas Number: 10397-28-1 Compound CID: 12375463Formula: C8H6ClNO4 Molecular Weight: 215.59IUPAC Name: 4-methoxy-3-nitrobenzoyl chlorideSMILES: COC1=C(C=C(C=C1)C(=O)Cl)[N+](=O)[O-]InChIKey: FUXMQFBGQSNVBM-UHFFFAOYSA-NInChI: InChI=1S/C8H6ClNO4/c1-14-7-3-2-5(8(9)11)4-6(7)10(12)13/h2-4H,1H3
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4-Bromo-2-Fluoro-6-NitroanisoleCas Number: 74266-66-3 Compound CID: 557159Formula: BrC6H2(F)(NO2)OCH3 Molecular Weight: 250.03IUPAC Name: 5-bromo-1-fluoro-2-methoxy-3-nitrobenzeneSMILES: COC1=C(C=C(C=C1F)Br)[N+](=O)[O-]InChIKey: CVCAYLYLJKBSNV-UHFFFAOYSA-NInChI: InChI=1S/C7H5BrFNO3/c1-13-7-5(9)2-4(8)3-6(7)10(11)12/h2-3H,1H3
