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

Systemtic Name: (3-nitrophenyl)methyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate Openeye Name: (3-nitrophenyl)methyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate CAS Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate Traditional Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid (3-nitrobenzyl) ester Formula: C22H16N4O4 MolecularWeight: 400.38684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2C3=CC=CC=C3)C(=O)OCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2C3=CC=CC=C3)C(=O)OCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O4/c27-22(30-15-16-8-7-13-19(14-16)26(28)29)20-23-21(17-9-3-1-4-10-17)25(24-20)18-11-5-2-6-12-18/h1-14H,15H2