[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 5-methyl-1-pyridin-2-yl-pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 5-methyl-1-pyridin-2-yl-pyrazole-4-carboxylate Openeye Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 5-methyl-1-(2-pyridyl)pyrazole-4-carboxylate CAS Name: 5-methyl-1-(2-pyridinyl)-4-pyrazolecarboxylic acid [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate Traditional Name: 5-methyl-1-(2-pyridyl)pyrazole-4-carboxylic acid (2-keto-2-mesityl-ethyl) ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)COC(=O)C2=C(N(N=C2)C3=CC=CC=N3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)COC(=O)C2=C(N(N=C2)C3=CC=CC=N3)C)C

InChI

InChI=1S/C21H21N3O3/c1-13-9-14(2)20(15(3)10-13)18(25)12-27-21(26)17-11-23-24(16(17)4)19-7-5-6-8-22-19/h5-11H,12H2,1-4H3