methyl 9-(3-methoxy-4-oxidanyl-phenyl)-6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxylate

Systemtic Name: methyl 9-(3-methoxy-4-oxidanyl-phenyl)-6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxylate Openeye Name: methyl 9-(4-hydroxy-3-methoxy-phenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxylate CAS Name: 9-(4-hydroxy-3-methoxyphenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 9-(4-hydroxy-3-methoxyphenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxylate Traditional Name: 9-(4-hydroxy-3-methoxy-phenyl)-6-keto-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxylic acid methyl ester Formula: C22H18N2O5 MolecularWeight: 390.38872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CC3=C(C=C2)C(=O)NC4=C(N3)C=CC(=C4)C(=O)OC)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC3=C(C=C2)C(=O)NC4=C(N3)C=CC(=C4)C(=O)OC)O

InChI

InChI=1S/C22H18N2O5/c1-28-20-11-13(5-8-19(20)25)12-3-6-15-17(9-12)23-16-7-4-14(22(27)29-2)10-18(16)24-21(15)26/h3-11,23,25H,1-2H3,(H,24,26)