3-oxidanylidenebutan-2-yl 1-(4-methylphenyl)-3-phenyl-pyrazole-4-carboxylate

Systemtic Name: 3-oxidanylidenebutan-2-yl 1-(4-methylphenyl)-3-phenyl-pyrazole-4-carboxylate Openeye Name: (1-methyl-2-oxo-propyl) 3-phenyl-1-(p-tolyl)pyrazole-4-carboxylate CAS Name: 1-(4-methylphenyl)-3-phenyl-4-pyrazolecarboxylic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 1-(4-methylphenyl)-3-phenylpyrazole-4-carboxylate Traditional Name: 3-phenyl-1-(p-tolyl)pyrazole-4-carboxylic acid (2-keto-1-methyl-propyl) ester Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CC=C3)C(=O)OC(C)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CC=C3)C(=O)OC(C)C(=O)C

InChI

InChI=1S/C21H20N2O3/c1-14-9-11-18(12-10-14)23-13-19(21(25)26-16(3)15(2)24)20(22-23)17-7-5-4-6-8-17/h4-13,16H,1-3H3