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Allyl-type 1,3-dipolar organic compounds
Description:
Organic 1,3-dipolar compounds with the general structure X=Y+-Z- <-> X--Y+=Z<-> X+-Y-Z-<-> X-=Y-Z+ (X, Z = C, N, or O; Y = N or O).
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5，6-Dichloro-3-nitropyridin-2-amineCas Number: 203794-33-6 Compound CID: 15392047Formula: C5H3Cl2N3O2 Molecular Weight: 208IUPAC Name: 5,6-dichloro-3-nitropyridin-2-amineSMILES: C1=C(C(=NC(=C1Cl)Cl)N)[N+](=O)[O-]InChIKey: DYSLEQUCBXITJX-UHFFFAOYSA-NInChI: InChI=1S/C5H3Cl2N3O2/c6-2-1-3(10(11)12)5(8)9-4(2)7/h1H,(H2,8,9) -
Methyl 1-methyl-5-nitro-1H-pyrrole-2-carboxylateIUPAC Name: methyl 1-methyl-5-nitropyrrole-2-carboxylateSMILES: CN1C(=CC=C1[N+](=O)[O-])C(=O)OCInChIKey: XTRZUZWXTWKINM-UHFFFAOYSA-NInChI: InChI=1S/C7H8N2O4/c1-8-5(7(10)13-2)3-4-6(8)9(11)12/h3-4H,1-2H3
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5-Methyl-3-nitro-pyridine-2-carbonitrileCas Number: 1089330-68-6 Compound CID: 23383694Formula: C7H5N3O2 Molecular Weight: 163.14IUPAC Name: 5-methyl-3-nitropyridine-2-carbonitrileSMILES: CC1=CC(=C(N=C1)C#N)[N+](=O)[O-]InChIKey: CWYBJZBJPJILCJ-UHFFFAOYSA-NInChI: InChI=1S/C7H5N3O2/c1-5-2-7(10(11)12)6(3-8)9-4-5/h2,4H,1H3Synonyms: 5-METHYL-3-NITRO-2-PYRIDINECARBONITRILE | 5-Methyl-3-nitropicolinonitrile -
4-Ethoxy-3-nitropyridine hydrochlorideCas Number: 94602-04-7Formula: C7H9ClN2O3 Molecular Weight: 204.61IUPAC Name: 4-ethoxy-3-nitropyridine;hydrochlorideSMILES: CCOC1=C(C=NC=C1)[N+](=O)[O-].ClInChIKey: HNMWMLXQJBWURC-UHFFFAOYSA-NInChI: InChI=1S/C7H8N2O3.ClH/c1-2-12-7-3-4-8-5-6(7)9(10)11;/h3-5H,2H2,1H3;1HSynonyms: 3-Nitro-4-ethoxypyridine hydrochloride
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3-Bromo-4-methyl-5-nitro-2-pyridinoneCas Number: 1049706-72-0 Compound CID: 40151914Formula: C6H5BrN2O3 Molecular Weight: 233.02IUPAC Name: 3-bromo-4-methyl-5-nitro-1H-pyridin-2-oneSMILES: CC1=C(C(=O)NC=C1[N+](=O)[O-])BrInChIKey: JJTIUCLTXGGQCH-UHFFFAOYSA-NInChI: InChI=1S/C6H5BrN2O3/c1-3-4(9(11)12)2-8-6(10)5(3)7/h2H,1H3,(H,8,10)
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3-(Nitromethyl)cyclopentanoneCas Number: 81266-47-9 Compound CID: 11958046Formula: C6H9NO3 Molecular Weight: 143.14IUPAC Name: 3-(nitromethyl)cyclopentan-1-oneSMILES: C1CC(=O)CC1C[N+](=O)[O-]InChIKey: OXUCMXDWKATUHP-UHFFFAOYSA-NInChI: InChI=1S/C6H9NO3/c8-6-2-1-5(3-6)4-7(9)10/h5H,1-4H2
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2，4-Difluoro-3-nitropyridineCas Number: 60186-14-3 Compound CID: 11423743Formula: C5H2F2N2O2 Molecular Weight: 160.08IUPAC Name: 2,4-difluoro-3-nitropyridineSMILES: C1=CN=C(C(=C1F)[N+](=O)[O-])FInChIKey: BEWIQKYGRIAYST-UHFFFAOYSA-NInChI: InChI=1S/C5H2F2N2O2/c6-3-1-2-8-5(7)4(3)9(10)11/h1-2H
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2，4-Dichloro-6-nitropyridineCas Number: 1379337-73-1 Compound CID: 70701203Formula: C5H2Cl2N2O2 Molecular Weight: 192.98IUPAC Name: 2,4-dichloro-6-nitropyridineSMILES: C1=C(C=C(N=C1[N+](=O)[O-])Cl)ClInChIKey: RHPOXXQUAPLUIU-UHFFFAOYSA-NInChI: InChI=1S/C5H2Cl2N2O2/c6-3-1-4(7)8-5(2-3)9(10)11/h1-2H
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2，2，2-Trichloro-1-(4-nitro-1H-pyrrol-2-yl)ethanoneCas Number: 53391-50-7 Compound CID: 7018229Formula: C6H3Cl3N2O3 Molecular Weight: 257.46IUPAC Name: 2,2,2-trichloro-1-(4-nitro-1H-pyrrol-2-yl)ethanoneSMILES: C1=C(NC=C1[N+](=O)[O-])C(=O)C(Cl)(Cl)ClInChIKey: XFHRTOGIBMVNEV-UHFFFAOYSA-NInChI: InChI=1S/C6H3Cl3N2O3/c7-6(8,9)5(12)4-1-3(2-10-4)11(13)14/h1-2,10H
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2，2-Dimethyl-6-nitro-2H-pyrido[3，2-b][1，4]oxazin-3(4H)-oneCas Number: 1002726-59-1 Compound CID: 45480401Formula: C9H9N3O4 Molecular Weight: 223.19IUPAC Name: 2,2-dimethyl-6-nitro-4H-pyrido[3,2-b][1,4]oxazin-3-oneSMILES: CC1(C(=O)NC2=C(O1)C=CC(=N2)[N+](=O)[O-])CInChIKey: QPNDHHGIJAMRMD-UHFFFAOYSA-NInChI: InChI=1S/C9H9N3O4/c1-9(2)8(13)11-7-5(16-9)3-4-6(10-7)12(14)15/h3-4H,1-2H3,(H,10,11,13)
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2,6-Dimethyl-4-nitropyridineCas Number: 4913-57-9 Compound CID: 4327895Formula: C7H8N2O2 Molecular Weight: 152.15IUPAC Name: 2,6-dimethyl-4-nitropyridineSMILES: CC1=CC(=CC(=N1)C)[N+](=O)[O-]InChIKey: OLERZURONBJUJK-UHFFFAOYSA-NInChI: InChI=1S/C7H8N2O2/c1-5-3-7(9(10)11)4-6(2)8-5/h3-4H,1-2H3
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2-Nitro-8，9-dihydro-5H-benzo[7]annulen-7(6H)-oneCas Number: 740842-50-6 Compound CID: 45790319Formula: C11H11NO3 Molecular Weight: 205.21IUPAC Name: 3-nitro-5,6,8,9-tetrahydrobenzo[7]annulen-7-oneSMILES: C1CC2=C(CCC1=O)C=C(C=C2)[N+](=O)[O-]InChIKey: YQPLEYWTKAXWAD-UHFFFAOYSA-NInChI: InChI=1S/C11H11NO3/c13-11-5-2-8-1-4-10(12(14)15)7-9(8)3-6-11/h1,4,7H,2-3,5-6H2
