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Organic nitro compounds
Description:
Compounds having the nitro group, -NO2 (free valence on nitrogen), which may be attached to carbon, nitrogen (as in nitramines), or oxygen (as in nitrates), among other elements (in the absence of specification, C-nitro compounds are usually implied).
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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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4-nitro-3-hexanolCas Number: 5342-71-2Formula: C6H13NO3 Molecular Weight: 147.17SMILES: CCC(C(CC)O)[N+](=O)[O-]InChIKey: XIXNQTGGBNDDMJ-UHFFFAOYSA-NInChI: InChI=1S/C6H13NO3/c1-3-5(7(9)10)6(8)4-2/h5-6,8H,3-4H2,1-2H3
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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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1-NITROHEXANEFormula: CH3(CH2)5NO2 Molecular Weight: 131.17IUPAC Name: 1-nitrohexaneSMILES: CCCCCC[N+](=O)[O-]InChIKey: FEYJIFXFOHFGCC-UHFFFAOYSA-NInChI: InChI=1S/C6H13NO2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3
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(E)-3-Methyl-1-nitrobut-1-eneCas Number: 27675-38-3 Compound CID: 11789177Formula: C5H9NO2 Molecular Weight: 115.13IUPAC Name: (E)-3-methyl-1-nitrobut-1-eneSMILES: CC(C)C=C[N+](=O)[O-]InChIKey: ARGNGGCUTGQKIA-ONEGZZNKSA-NInChI: InChI=1S/C5H9NO2/c1-5(2)3-4-6(7)8/h3-5H,1-2H3/b4-3+
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4-Nitrobutan-1-olCas Number: 75694-90-5 Compound CID: 11240463Formula: C4H9NO3 Molecular Weight: 119.12IUPAC Name: 4-nitrobutan-1-olSMILES: C(CCO)C[N+](=O)[O-]InChIKey: XSOWARLVOQBBOO-UHFFFAOYSA-NInChI: InChI=1S/C4H9NO3/c6-4-2-1-3-5(7)8/h6H,1-4H2
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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+
