2-(4-chlorophenyl)-3-oxidanyl-5-oxidanylidene-2,4-dihydro-1H-1,4-benzodiazepine-3-carbonitrile

Systemtic Name: 2-(4-chlorophenyl)-3-oxidanyl-5-oxidanylidene-2,4-dihydro-1H-1,4-benzodiazepine-3-carbonitrile Openeye Name: 2-(4-chlorophenyl)-3-hydroxy-5-oxo-2,4-dihydro-1H-1,4-benzodiazepine-3-carbonitrile CAS Name: 2-(4-chlorophenyl)-3-hydroxy-5-oxo-2,4-dihydro-1H-1,4-benzodiazepine-3-carbonitrile IUPAC Name: 2-(4-chlorophenyl)-3-hydroxy-5-oxo-2,4-dihydro-1H-1,4-benzodiazepine-3-carbonitrile Traditional Name: 2-(4-chlorophenyl)-3-hydroxy-5-keto-2,4-dihydro-1H-1,4-benzodiazepine-3-carbonitrile Formula: C16H12ClN3O2 MolecularWeight: 313.73838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NC(C(N2)C3=CC=C(C=C3)Cl)(C#N)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NC(C(N2)C3=CC=C(C=C3)Cl)(C#N)O

InChI

InChI=1S/C16H12ClN3O2/c17-11-7-5-10(6-8-11)14-16(22,9-18)20-15(21)12-3-1-2-4-13(12)19-14/h1-8,14,19,22H,(H,20,21)