2-oxidanylidenepropyl 2-(2,4-dimethylphenyl)-5-methyl-1,2,3-triazole-4-carboxylate

Systemtic Name: 2-oxidanylidenepropyl 2-(2,4-dimethylphenyl)-5-methyl-1,2,3-triazole-4-carboxylate Openeye Name: acetonyl 2-(2,4-dimethylphenyl)-5-methyl-triazole-4-carboxylate CAS Name: 2-(2,4-dimethylphenyl)-5-methyl-4-triazolecarboxylic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxylate Traditional Name: 2-(2,4-dimethylphenyl)-5-methyl-triazole-4-carboxylic acid acetonyl ester Formula: C15H17N3O3 MolecularWeight: 287.31378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2N=C(C(=N2)C(=O)OCC(=O)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2N=C(C(=N2)C(=O)OCC(=O)C)C)C

InChI

InChI=1S/C15H17N3O3/c1-9-5-6-13(10(2)7-9)18-16-12(4)14(17-18)15(20)21-8-11(3)19/h5-7H,8H2,1-4H3