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

Systemtic Name: 9-(3-methoxy-4-oxidanyl-phenyl)-6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carbonitrile Openeye Name: 9-(4-hydroxy-3-methoxy-phenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carbonitrile CAS Name: 9-(4-hydroxy-3-methoxyphenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carbonitrile IUPAC Name: 9-(4-hydroxy-3-methoxyphenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carbonitrile Traditional Name: 9-(4-hydroxy-3-methoxy-phenyl)-6-keto-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carbonitrile Formula: C21H15N3O3 MolecularWeight: 357.3621

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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#N)O

Isomeric SMILES

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

InChI

InChI=1S/C21H15N3O3/c1-27-20-10-14(4-7-19(20)25)13-3-5-15-17(9-13)23-16-6-2-12(11-22)8-18(16)24-21(15)26/h2-10,23,25H,1H3,(H,24,26)