methyl 4-(4-methoxyphenyl)-6-nitro-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylate

Systemtic Name: methyl 4-(4-methoxyphenyl)-6-nitro-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylate Openeye Name: methyl 4-(4-methoxyphenyl)-6-nitro-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylate CAS Name: 4-(4-methoxyphenyl)-6-nitro-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-methoxyphenyl)-6-nitro-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylate Traditional Name: 2-keto-4-(4-methoxyphenyl)-6-nitro-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylic acid methyl ester Formula: C19H18N2O6 MolecularWeight: 370.35602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC3=C(C=CC=C3[N+](=O)[O-])NC(=O)C2C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2CC3=C(C=CC=C3[N+](=O)[O-])NC(=O)C2C(=O)OC

InChI

InChI=1S/C19H18N2O6/c1-26-12-8-6-11(7-9-12)13-10-14-15(4-3-5-16(14)21(24)25)20-18(22)17(13)19(23)27-2/h3-9,13,17H,10H2,1-2H3,(H,20,22)