methyl 4-(4-nitrophenyl)-1,5-diphenyl-1,2,4-triazol-4-ium-3-carboxylate

Systemtic Name: methyl 4-(4-nitrophenyl)-1,5-diphenyl-1,2,4-triazol-4-ium-3-carboxylate Openeye Name: methyl 4-(4-nitrophenyl)-1,5-diphenyl-1,2,4-triazol-4-ium-3-carboxylate CAS Name: 4-(4-nitrophenyl)-1,5-diphenyl-1,2,4-triazol-4-ium-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-nitrophenyl)-1,5-diphenyl-1,2,4-triazol-4-ium-3-carboxylate Traditional Name: 4-(4-nitrophenyl)-1,5-diphenyl-1,2,4-triazol-4-ium-3-carboxylic acid methyl ester Formula: C22H17N4O4+ MolecularWeight: 401.39478

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C(=[N+]1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=NN(C(=[N+]1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H17N4O4/c1-30-22(27)20-23-25(18-10-6-3-7-11-18)21(16-8-4-2-5-9-16)24(20)17-12-14-19(15-13-17)26(28)29/h2-15H,1H3/q+1