[1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 1-methylpyrazole-4-carboxylate

Systemtic Name: [1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 1-methylpyrazole-4-carboxylate Openeye Name: [2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl] 1-methylpyrazole-4-carboxylate CAS Name: 1-methyl-4-pyrazolecarboxylic acid [1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 1-methylpyrazole-4-carboxylate Traditional Name: 1-methylpyrazole-4-carboxylic acid [2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C)OC(=O)C2=CN(N=C2)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(C)OC(=O)C2=CN(N=C2)C)C

InChI

InChI=1S/C16H18N2O3/c1-10-5-6-13(7-11(10)2)15(19)12(3)21-16(20)14-8-17-18(4)9-14/h5-9,12H,1-4H3