[2-oxidanylidene-2-(2,3,4,5-tetramethylphenyl)ethyl] 1-phenylpyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2,3,4,5-tetramethylphenyl)ethyl] 1-phenylpyrazole-4-carboxylate Openeye Name: [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 1-phenylpyrazole-4-carboxylate CAS Name: 1-phenyl-4-pyrazolecarboxylic acid [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenylpyrazole-4-carboxylic acid [2-keto-2-(2,3,4,5-tetramethylphenyl)ethyl] ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O3/c1-14-10-20(17(4)16(3)15(14)2)21(25)13-27-22(26)18-11-23-24(12-18)19-8-6-5-7-9-19/h5-12H,13H2,1-4H3