[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate

Systemtic Name: [1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate Openeye Name: [1-methyl-2-(4-nitroanilino)-2-oxo-ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate CAS Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid [1-(4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-nitroanilino)-1-oxopropan-2-yl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate Traditional Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid [2-keto-1-methyl-2-(4-nitroanilino)ethyl] ester Formula: C24H19N5O5 MolecularWeight: 457.43816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H19N5O5/c1-16(23(30)25-18-12-14-20(15-13-18)29(32)33)34-24(31)21-26-22(17-8-4-2-5-9-17)28(27-21)19-10-6-3-7-11-19/h2-16H,1H3,(H,25,30)