1-(4-nitrophenyl)-5-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]pyrazole-4-carbonitrile

Systemtic Name: 1-(4-nitrophenyl)-5-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]pyrazole-4-carbonitrile Openeye Name: 5-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]-1-(4-nitrophenyl)pyrazole-4-carbonitrile CAS Name: 5-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]-1-(4-nitrophenyl)-4-pyrazolecarbonitrile IUPAC Name: 5-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]-1-(4-nitrophenyl)pyrazole-4-carbonitrile Traditional Name: 5-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]-1-(4-nitrophenyl)pyrazole-4-carbonitrile Formula: C18H13N7O4 MolecularWeight: 391.34032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C(NC2=C(C=NN2C3=CC=C(C=C3)[N+](=O)[O-])C#N)N=O)NO

Isomeric SMILES

C1=CC=C(C=C1)/C(=C(/NC2=C(C=NN2C3=CC=C(C=C3)[N+](=O)[O-])C#N)\N=O)/NO

InChI

InChI=1S/C18H13N7O4/c19-10-13-11-20-24(14-6-8-15(9-7-14)25(28)29)18(13)21-17(23-27)16(22-26)12-4-2-1-3-5-12/h1-9,11,21-22,26H/b17-16+