3-(8-methoxy-7-oxidanyl-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-5-yl)benzenecarbonitrile

Systemtic Name: 3-(8-methoxy-7-oxidanyl-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-5-yl)benzenecarbonitrile Openeye Name: 3-(7-hydroxy-8-methoxy-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)benzonitrile CAS Name: 3-(7-hydroxy-8-methoxy-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)benzonitrile IUPAC Name: 3-(7-hydroxy-8-methoxy-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)benzonitrile Traditional Name: 3-(7-hydroxy-2-keto-8-methoxy-1,3-dihydro-1,4-benzodiazepin-5-yl)benzonitrile Formula: C17H13N3O3 MolecularWeight: 307.30342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)NC(=O)CN=C2C3=CC=CC(=C3)C#N)O

Isomeric SMILES

COC1=C(C=C2C(=C1)NC(=O)CN=C2C3=CC=CC(=C3)C#N)O

InChI

InChI=1S/C17H13N3O3/c1-23-15-7-13-12(6-14(15)21)17(19-9-16(22)20-13)11-4-2-3-10(5-11)8-18/h2-7,21H,9H2,1H3,(H,20,22)