(1Z)-4-nitro-N-(1,3,5-triphenyl-1,2,4-triazol-1-ium-4-yl)benzenecarboximidate

Systemtic Name: (1Z)-4-nitro-N-(1,3,5-triphenyl-1,2,4-triazol-1-ium-4-yl)benzenecarboximidate Openeye Name: (1Z)-4-nitro-N-(1,3,5-triphenyl-1,2,4-triazol-1-ium-4-yl)benzenecarboximidate CAS Name: (1Z)-4-nitro-N-(1,3,5-triphenyl-1,2,4-triazol-1-ium-4-yl)benzenecarboximidate IUPAC Name: (1Z)-4-nitro-N-(1,3,5-triphenyl-1,2,4-triazol-1-ium-4-yl)benzenecarboximidate Traditional Name: (1Z)-4-nitro-N-(1,3,5-triphenyl-1,2,4-triazol-1-ium-4-yl)benzenecarboximidate Formula: C27H19N5O3 MolecularWeight: 461.47146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=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

C1=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/C27H19N5O3/c33-26(21-16-18-24(19-17-21)32(34)35)29-31-25(20-10-4-1-5-11-20)28-30(23-14-8-3-9-15-23)27(31)22-12-6-2-7-13-22/h1-19H