N-[3-(4-chlorophenyl)-1,5-diphenyl-1,2,4-triazol-1-ium-4-yl]-4-nitro-benzamide

Systemtic Name: N-[3-(4-chlorophenyl)-1,5-diphenyl-1,2,4-triazol-1-ium-4-yl]-4-nitro-benzamide Openeye Name: N-[3-(4-chlorophenyl)-1,5-diphenyl-1,2,4-triazol-1-ium-4-yl]-4-nitro-benzamide CAS Name: N-[3-(4-chlorophenyl)-1,5-diphenyl-1,2,4-triazol-1-ium-4-yl]-4-nitrobenzamide IUPAC Name: N-[3-(4-chlorophenyl)-1,5-diphenyl-1,2,4-triazol-1-ium-4-yl]-4-nitrobenzamide Traditional Name: N-[3-(4-chlorophenyl)-1,5-diphenyl-1,2,4-triazol-1-ium-4-yl]-4-nitro-benzamide Formula: C27H19ClN5O3+ MolecularWeight: 496.92446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=[N+](N=C(N2NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=[N+](N=C(N2NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C27H18ClN5O3/c28-22-15-11-19(12-16-22)25-29-31(23-9-5-2-6-10-23)27(21-7-3-1-4-8-21)32(25)30-26(34)20-13-17-24(18-14-20)33(35)36/h1-18H/p+1