[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 1,3,5-trimethylpyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 1,3,5-trimethylpyrazole-4-carboxylate Openeye Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 1,3,5-trimethylpyrazole-4-carboxylate CAS Name: 1,3,5-trimethyl-4-pyrazolecarboxylic acid [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 1,3,5-trimethylpyrazole-4-carboxylate Traditional Name: 1,3,5-trimethylpyrazole-4-carboxylic acid (2-keto-2-mesityl-ethyl) ester Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3/c1-10-7-11(2)16(12(3)8-10)15(21)9-23-18(22)17-13(4)19-20(6)14(17)5/h7-8H,9H2,1-6H3