methyl 3-nitro-5-[3-(2-oxidanylideneazepan-1-yl)propylcarbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[3-(2-oxidanylideneazepan-1-yl)propylcarbamoyl]benzoate Openeye Name: methyl 3-nitro-5-[3-(2-oxoazepan-1-yl)propylcarbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[3-(2-oxo-1-azepanyl)propylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[3-(2-oxoazepan-1-yl)propylcarbamoyl]benzoate Traditional Name: 3-[3-(2-ketoazepan-1-yl)propylcarbamoyl]-5-nitro-benzoic acid methyl ester Formula: C18H23N3O6 MolecularWeight: 377.39172

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NCCCN2CCCCCC2=O)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NCCCN2CCCCCC2=O)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O6/c1-27-18(24)14-10-13(11-15(12-14)21(25)26)17(23)19-7-5-9-20-8-4-2-3-6-16(20)22/h10-12H,2-9H2,1H3,(H,19,23)