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

Systemtic Name: 6-(2-chlorophenyl)-5-oxidanidyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium-8-carbonitrile Openeye Name: 6-(2-chlorophenyl)-5-oxido-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium-8-carbonitrile CAS Name: 6-(2-chlorophenyl)-5-oxido-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium-8-carbonitrile IUPAC Name: 6-(2-chlorophenyl)-5-oxido-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium-8-carbonitrile Traditional Name: 6-(2-chlorophenyl)-5-oxido-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium-8-carbonitrile Formula: C18H11ClN4O MolecularWeight: 334.75914

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=NC=CN2C3=C(C=C(C=C3)C#N)C(=[N+]1[O-])C4=CC=CC=C4Cl

Isomeric SMILES

C1C2=NC=CN2C3=C(C=C(C=C3)C#N)C(=[N+]1[O-])C4=CC=CC=C4Cl

InChI

InChI=1S/C18H11ClN4O/c19-15-4-2-1-3-13(15)18-14-9-12(10-20)5-6-16(14)22-8-7-21-17(22)11-23(18)24/h1-9H,11H2