1-methyl-3-(1-methyl-5-nitro-imidazol-2-yl)-5-[(E)-(phenylmethylidene)amino]pyrazole-4-carbonitrile

Systemtic Name: 1-methyl-3-(1-methyl-5-nitro-imidazol-2-yl)-5-[(E)-(phenylmethylidene)amino]pyrazole-4-carbonitrile Openeye Name: 5-[(E)-benzylideneamino]-1-methyl-3-(1-methyl-5-nitro-imidazol-2-yl)pyrazole-4-carbonitrile CAS Name: 1-methyl-3-(1-methyl-5-nitro-2-imidazolyl)-5-[(E)-(phenylmethylene)amino]-4-pyrazolecarbonitrile IUPAC Name: 5-[(E)-benzylideneamino]-1-methyl-3-(1-methyl-5-nitroimidazol-2-yl)pyrazole-4-carbonitrile Traditional Name: 5-[(E)-benzalamino]-1-methyl-3-(1-methyl-5-nitro-imidazol-2-yl)pyrazole-4-carbonitrile Formula: C16H13N7O2 MolecularWeight: 335.32012

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1C2=NN(C(=C2C#N)N=CC3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CN=C1C2=NN(C(=C2C#N)/N=C/C3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C16H13N7O2/c1-21-13(23(24)25)10-19-16(21)14-12(8-17)15(22(2)20-14)18-9-11-6-4-3-5-7-11/h3-7,9-10H,1-2H3/b18-9+