N-(7-chloranyl-4-oxidanidyl-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-N-methyl-nitrous amide

Systemtic Name: N-(7-chloranyl-4-oxidanidyl-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-N-methyl-nitrous amide Openeye Name: N-(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-N-methyl-nitrous amide CAS Name: N-(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-N-methylnitrous amide IUPAC Name: N-(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-N-methylnitrous amide Traditional Name: N-(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-N-methyl-nitrous amide Formula: C16H13ClN4O2 MolecularWeight: 328.75302

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=NC2=C(C=C(C=C2)Cl)C(=[N+](C1)[O-])C3=CC=CC=C3)N=O

Isomeric SMILES

CN(C1=NC2=C(C=C(C=C2)Cl)C(=[N+](C1)[O-])C3=CC=CC=C3)N=O

InChI

InChI=1S/C16H13ClN4O2/c1-20(19-22)15-10-21(23)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)18-15/h2-9H,10H2,1H3