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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3/c1-13-9-10-17(14(2)11-13)18(24)12-26-20(25)19-15(3)21-23(22-19)16-7-5-4-6-8-16/h4-11H,12H2,1-3H3