methyl 2-(4-nitrophenyl)sulfonyl-3-oxidanylidene-4,5-dihydro-1H-2-benzazepine-1-carboxylate

Systemtic Name: methyl 2-(4-nitrophenyl)sulfonyl-3-oxidanylidene-4,5-dihydro-1H-2-benzazepine-1-carboxylate Openeye Name: methyl 2-(4-nitrophenyl)sulfonyl-3-oxo-4,5-dihydro-1H-2-benzazepine-1-carboxylate CAS Name: 2-(4-nitrophenyl)sulfonyl-3-oxo-4,5-dihydro-1H-2-benzazepine-1-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-nitrophenyl)sulfonyl-3-oxo-4,5-dihydro-1H-2-benzazepine-1-carboxylate Traditional Name: 3-keto-2-nosyl-4,5-dihydro-1H-2-benzazepine-1-carboxylic acid methyl ester Formula: C18H16N2O7S MolecularWeight: 404.39384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C2=CC=CC=C2CCC(=O)N1S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1C2=CC=CC=C2CCC(=O)N1S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O7S/c1-27-18(22)17-15-5-3-2-4-12(15)6-11-16(21)19(17)28(25,26)14-9-7-13(8-10-14)20(23)24/h2-5,7-10,17H,6,11H2,1H3