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Nitroaromatic compounds
Description:
C-nitro compounds where the nitro group is C-substituted with an aromatic group.
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trans-di(nitrobenzo)-18-crown-6Cas Number: 32082-45-4Formula: C20H22N2O10 Molecular Weight: 450.40SMILES: C1COC2=C(C=C(C=C2)[N+](=O)[O-])OCCOCCOC3=C(C=C(C=C3)[N+](=O)[O-])OCCO1InChIKey: JLRXOTNWTNNRCW-UHFFFAOYSA-NInChI: InChI=1S/C20H22N2O10/c23-21(24)15-1-3-17-19(13-15)31-11-7-28-6-10-30-18-4-2-16(22(25)26)14-20(18)32-12-8-27-5-9-29-17/h1-4,13-14H,5-12H2 -
Pyridine， 3-bromo-6-methyl-2-nitro-Cas Number: 1379359-54-2Formula: C6H5BrN2O2 Molecular Weight: 217.0201SMILES: CC1=NC(=C(C=C1)Br)[N+](=O)[O-]InChIKey: YPLZSMVVNLHUFX-UHFFFAOYSA-NInChI: InChI=1S/C6H5BrN2O2/c1-4-2-3-5(7)6(8-4)9(10)11/h2-3H,1H3
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Pyridine， 2-(bromomethyl)-3-nitro-Cas Number: 20660-73-5Formula: C6H5BrN2O2 Molecular Weight: 217.0201SMILES: C1=CC(=C(N=C1)CBr)[N+](=O)[O-]InChIKey: BGXQFAXHRDFUEX-UHFFFAOYSA-NInChI: InChI=1S/C6H5BrN2O2/c7-4-5-6(9(10)11)2-1-3-8-5/h1-3H,4H2
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C90141Cas Number: 65169-35-9Formula: C7H7ClN2O2 Molecular Weight: 186.5957SMILES: CC1=C(C(=NC=C1[N+](=O)[O-])Cl)CInChIKey: DPVSXUVKMQURNQ-UHFFFAOYSA-NInChI: InChI=1S/C7H7ClN2O2/c1-4-5(2)7(8)9-3-6(4)10(11)12/h3H,1-2H3
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5-Bromo-2，4-dichloro-3-nitropyridineCas Number: 856850-68-5 Compound CID: 58446996IUPAC Name: 5-bromo-2,4-dichloro-3-nitropyridineSMILES: C1=C(C(=C(C(=N1)Cl)[N+](=O)[O-])Cl)BrInChIKey: SMJWSYDXAHYIKL-UHFFFAOYSA-NInChI: InChI=1S/C5HBrCl2N2O2/c6-2-1-9-5(8)4(3(2)7)10(11)12/h1H
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3-Bromo-5-fluoro-2-nitropyridineCas Number: 1258544-91-0 Compound CID: 59627080Formula: C5H2BrFN2O2 Molecular Weight: 220.98IUPAC Name: 3-bromo-5-fluoro-2-nitropyridineSMILES: C1=C(C=NC(=C1Br)[N+](=O)[O-])FInChIKey: CUABRVCGKZGKNT-UHFFFAOYSA-NInChI: InChI=1S/C5H2BrFN2O2/c6-4-1-3(7)2-8-5(4)9(10)11/h1-2H
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2-bromo-6-methyl-4-nitro-pyridine 1-oxideCas Number: 60323-99-1Formula: C6H5BrN2O3 Molecular Weight: 233.02SMILES: CC1=CC(=CC(=[N+]1[O-])Br)[N+](=O)[O-]InChIKey: FXJATGFTSNBVNK-UHFFFAOYSA-NInChI: InChI=1S/C6H5BrN2O3/c1-4-2-5(9(11)12)3-6(7)8(4)10/h2-3H,1H3
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(2S，6R)-2，6-dimethyl-4-(5-nitropyridin-2-yl)morpholineCas Number: 956699-05-1 Compound CID: 7188369Formula: C11H15N3O3 Molecular Weight: 237.26IUPAC Name: (2R,6S)-2,6-dimethyl-4-(5-nitropyridin-2-yl)morpholineSMILES: CC1CN(CC(O1)C)C2=NC=C(C=C2)[N+](=O)[O-]InChIKey: OEWWQMFPALMWEF-DTORHVGOSA-NInChI: InChI=1S/C11H15N3O3/c1-8-6-13(7-9(2)17-8)11-4-3-10(5-12-11)14(15)16/h3-5,8-9H,6-7H2,1-2H3/t8-,9+
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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)
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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
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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
