ethanoic acid; 4-oxidanyl-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepine-8-carbonitrile

Systemtic Name: ethanoic acid; 4-oxidanyl-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepine-8-carbonitrile Openeye Name: acetic acid; 4-hydroxy-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepine-8-carbonitrile CAS Name: acetic acid; 4-hydroxy-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepine-8-carbonitrile IUPAC Name: acetic acid; 4-hydroxy-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepine-8-carbonitrile Traditional Name: acetic acid; 4-hydroxy-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepine-8-carbonitrile Formula: C20H16N4O3 MolecularWeight: 360.36604

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC=C(C=C1)C2=NC(C3=NC=CN3C4=C2C=C(C=C4)C#N)O

Isomeric SMILES

CC(=O)O.C1=CC=C(C=C1)C2=NC(C3=NC=CN3C4=C2C=C(C=C4)C#N)O

InChI

InChI=1S/C18H12N4O.C2H4O2/c19-11-12-6-7-15-14(10-12)16(13-4-2-1-3-5-13)21-18(23)17-20-8-9-22(15)17;1-2(3)4/h1-10,18,23H;1H3,(H,3,4)