6-(2-chlorophenyl)-2-methyl-5-oxidanidyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium-8-carbonitrile

Systemtic Name: 6-(2-chlorophenyl)-2-methyl-5-oxidanidyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium-8-carbonitrile Openeye Name: 6-(2-chlorophenyl)-2-methyl-5-oxido-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium-8-carbonitrile CAS Name: 6-(2-chlorophenyl)-2-methyl-5-oxido-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium-8-carbonitrile IUPAC Name: 6-(2-chlorophenyl)-2-methyl-5-oxido-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium-8-carbonitrile Traditional Name: 6-(2-chlorophenyl)-2-methyl-5-oxido-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium-8-carbonitrile Formula: C19H13ClN4O MolecularWeight: 348.78572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=N1)C[N+](=C(C3=C2C=CC(=C3)C#N)C4=CC=CC=C4Cl)[O-]

Isomeric SMILES

CC1=CN2C(=N1)C[N+](=C(C3=C2C=CC(=C3)C#N)C4=CC=CC=C4Cl)[O-]

InChI

InChI=1S/C19H13ClN4O/c1-12-10-23-17-7-6-13(9-21)8-15(17)19(24(25)11-18(23)22-12)14-4-2-3-5-16(14)20/h2-8,10H,11H2,1H3