(3,3-dimethyl-2-oxidanylidene-butyl) 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylate CAS Name: 3-(4-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C23H24N2O3 MolecularWeight: 376.44826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)C(C)(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)C(C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C23H24N2O3/c1-16-10-12-17(13-11-16)21-19(22(27)28-15-20(26)23(2,3)4)14-25(24-21)18-8-6-5-7-9-18/h5-14H,15H2,1-4H3