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

Systemtic Name: 2-oxidanylidenepropyl 1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxylate Openeye Name: acetonyl 1-(4-fluorophenyl)-3-(m-tolyl)pyrazole-4-carboxylate CAS Name: 1-(4-fluorophenyl)-3-(3-methylphenyl)-4-pyrazolecarboxylic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxylate Traditional Name: 1-(4-fluorophenyl)-3-(m-tolyl)pyrazole-4-carboxylic acid acetonyl ester Formula: C20H17FN2O3 MolecularWeight: 352.358983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17FN2O3/c1-13-4-3-5-15(10-13)19-18(20(25)26-12-14(2)24)11-23(22-19)17-8-6-16(21)7-9-17/h3-11H,12H2,1-2H3