(1Z)-N-[3-(4-methylphenyl)-1,5-diphenyl-1,2,4-triazol-1-ium-4-yl]-4-nitro-benzenecarboximidate

Systemtic Name: (1Z)-N-[3-(4-methylphenyl)-1,5-diphenyl-1,2,4-triazol-1-ium-4-yl]-4-nitro-benzenecarboximidate Openeye Name: (1Z)-N-[1,5-diphenyl-3-(p-tolyl)-1,2,4-triazol-1-ium-4-yl]-4-nitro-benzenecarboximidate CAS Name: (1Z)-N-[3-(4-methylphenyl)-1,5-diphenyl-1,2,4-triazol-1-ium-4-yl]-4-nitrobenzenecarboximidate IUPAC Name: (1Z)-N-[3-(4-methylphenyl)-1,5-diphenyl-1,2,4-triazol-1-ium-4-yl]-4-nitrobenzenecarboximidate Traditional Name: (1Z)-N-[1,5-diphenyl-3-(p-tolyl)-1,2,4-triazol-1-ium-4-yl]-4-nitro-benzenecarboximidate Formula: C28H21N5O3 MolecularWeight: 475.49804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=N[N+](=C(N2N=C(C3=CC=C(C=C3)[N+](=O)[O-])[O-])C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=N[N+](=C(N2/N=C(/C3=CC=C(C=C3)[N+](=O)[O-])\[O-])C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H21N5O3/c1-20-12-14-21(15-13-20)26-29-31(24-10-6-3-7-11-24)28(23-8-4-2-5-9-23)32(26)30-27(34)22-16-18-25(19-17-22)33(35)36/h2-19H,1H3