4-[(2E)-2-[1-cyano-2-oxidanylidene-2-[(phenylmethyl)amino]ethylidene]hydrazinyl]-1H-imidazole-5-carboxamide

Systemtic Name: 4-[(2E)-2-[1-cyano-2-oxidanylidene-2-[(phenylmethyl)amino]ethylidene]hydrazinyl]-1H-imidazole-5-carboxamide Openeye Name: (1E)-2-(benzylamino)-N-[(5-carbamoyl-1H-imidazol-4-yl)amino]-2-oxo-acetimidoyl cyanide CAS Name: 4-[(2E)-2-[1-cyano-2-oxo-2-[(phenylmethyl)amino]ethylidene]hydrazinyl]-1H-imidazole-5-carboxamide IUPAC Name: (1E)-2-(benzylamino)-N-[(5-carbamoyl-1H-imidazol-4-yl)amino]-2-oxoethanimidoyl cyanide Traditional Name: 4-[(N'E)-N'-[2-(benzylamino)-1-cyano-2-keto-ethylidene]hydrazino]-1H-imidazole-5-carboxamide Formula: C14H13N7O2 MolecularWeight: 311.29872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(=NNC2=C(NC=N2)C(=O)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)/C(=N/NC2=C(NC=N2)C(=O)N)/C#N

InChI

InChI=1S/C14H13N7O2/c15-6-10(14(23)17-7-9-4-2-1-3-5-9)20-21-13-11(12(16)22)18-8-19-13/h1-5,8,21H,7H2,(H2,16,22)(H,17,23)(H,18,19)/b20-10+