[2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: [2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-(4-fluorophenyl)-2-oxo-ethyl] 3-(p-tolyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid [2-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-fluorophenyl)-2-oxoethyl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(p-tolyl)-1H-pyrazole-5-carboxylic acid [2-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C19H15FN2O3 MolecularWeight: 338.332403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15FN2O3/c1-12-2-4-13(5-3-12)16-10-17(22-21-16)19(24)25-11-18(23)14-6-8-15(20)9-7-14/h2-10H,11H2,1H3,(H,21,22)