methyl 2-methoxy-4-[(2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)carbonyl]benzoate

Systemtic Name: methyl 2-methoxy-4-[(2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)carbonyl]benzoate Openeye Name: methyl 2-methoxy-4-(2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carbonyl)benzoate CAS Name: 2-methoxy-4-[oxo-(2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-4-(2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carbonyl)benzoate Traditional Name: 4-(2-keto-3,4-dihydro-1H-1,5-benzodiazepine-5-carbonyl)-2-methoxy-benzoic acid methyl ester Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CCC(=O)NC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CCC(=O)NC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C19H18N2O5/c1-25-16-11-12(7-8-13(16)19(24)26-2)18(23)21-10-9-17(22)20-14-5-3-4-6-15(14)21/h3-8,11H,9-10H2,1-2H3,(H,20,22)