2-oxidanylidenepropyl 3-(2-methylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: 2-oxidanylidenepropyl 3-(2-methylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: acetonyl 3-(o-tolyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(2-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 3-(2-methylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(o-tolyl)-1-phenyl-pyrazole-4-carboxylic acid acetonyl ester Formula: C20H18N2O3 MolecularWeight: 334.36852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN(C=C2C(=O)OCC(=O)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C2=NN(C=C2C(=O)OCC(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C20H18N2O3/c1-14-8-6-7-11-17(14)19-18(20(24)25-13-15(2)23)12-22(21-19)16-9-4-3-5-10-16/h3-12H,13H2,1-2H3