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

Systemtic Name: [1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 2-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: [2-(2,5-dimethylphenyl)-1-methyl-2-oxo-ethyl] 2-phenyltriazole-4-carboxylate CAS Name: 2-phenyl-4-triazolecarboxylic acid [1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] 2-phenyltriazole-4-carboxylate Traditional Name: 2-phenyltriazole-4-carboxylic acid [2-(2,5-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3/c1-13-9-10-14(2)17(11-13)19(24)15(3)26-20(25)18-12-21-23(22-18)16-7-5-4-6-8-16/h4-12,15H,1-3H3