methyl 9-chloranyl-6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxylate

Systemtic Name: methyl 9-chloranyl-6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxylate Openeye Name: methyl 9-chloro-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxylate CAS Name: 9-chloro-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 9-chloro-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxylate Traditional Name: 9-chloro-6-keto-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxylic acid methyl ester Formula: C15H11ClN2O3 MolecularWeight: 302.71244

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)NC3=C(C=CC(=C3)Cl)C(=O)N2

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)NC3=C(C=CC(=C3)Cl)C(=O)N2

InChI

InChI=1S/C15H11ClN2O3/c1-21-15(20)8-2-5-11-13(6-8)18-14(19)10-4-3-9(16)7-12(10)17-11/h2-7,17H,1H3,(H,18,19)