[1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 1,3,5-trimethylpyrazole-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=C(N(N=C2C)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=C(N(N=C2C)C)C

InChI

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