[1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate

Systemtic Name: [1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: [2-(2,6-dimethylanilino)-1-methyl-2-oxo-ethyl] 5-methyl-2-phenyl-triazole-4-carboxylate CAS Name: 5-methyl-2-phenyl-4-triazolecarboxylic acid [1-(2,6-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 5-methyl-2-phenyltriazole-4-carboxylate Traditional Name: 5-methyl-2-phenyl-triazole-4-carboxylic acid [2-(2,6-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(C)OC(=O)C2=NN(N=C2C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C(C)OC(=O)C2=NN(N=C2C)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O3/c1-13-9-8-10-14(2)18(13)22-20(26)16(4)28-21(27)19-15(3)23-25(24-19)17-11-6-5-7-12-17/h5-12,16H,1-4H3,(H,22,26)