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

Systemtic Name: N-[1-(4-nitrophenyl)-3,5-diphenyl-1,2,4-triazol-1-ium-4-yl]benzamide Openeye Name: N-[1-(4-nitrophenyl)-3,5-diphenyl-1,2,4-triazol-1-ium-4-yl]benzamide CAS Name: N-[1-(4-nitrophenyl)-3,5-diphenyl-1,2,4-triazol-1-ium-4-yl]benzamide IUPAC Name: N-[1-(4-nitrophenyl)-3,5-diphenyl-1,2,4-triazol-1-ium-4-yl]benzamide Traditional Name: N-[1-(4-nitrophenyl)-3,5-diphenyl-1,2,4-triazol-1-ium-4-yl]benzamide Formula: C27H20N5O3+ MolecularWeight: 462.4794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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