[5-ethyl-2-(4-fluorophenyl)pyrazol-3-yl] 3,5-bis(trifluoromethyl)benzoate

Systemtic Name: [5-ethyl-2-(4-fluorophenyl)pyrazol-3-yl] 3,5-bis(trifluoromethyl)benzoate Openeye Name: [5-ethyl-2-(4-fluorophenyl)pyrazol-3-yl] 3,5-bis(trifluoromethyl)benzoate CAS Name: 3,5-bis(trifluoromethyl)benzoic acid [5-ethyl-2-(4-fluorophenyl)-3-pyrazolyl] ester IUPAC Name: [5-ethyl-2-(4-fluorophenyl)pyrazol-3-yl] 3,5-bis(trifluoromethyl)benzoate Traditional Name: 3,5-bis(trifluoromethyl)benzoic acid [5-ethyl-2-(4-fluorophenyl)pyrazol-3-yl] ester Formula: C20H13F7N2O2 MolecularWeight: 446.318242

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1)OC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=C(C=C3)F

Isomeric SMILES

CCC1=NN(C(=C1)OC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H13F7N2O2/c1-2-15-10-17(29(28-15)16-5-3-14(21)4-6-16)31-18(30)11-7-12(19(22,23)24)9-13(8-11)20(25,26)27/h3-10H,2H2,1H3