[5-tert-butyl-2-(3-fluorophenyl)pyrazol-3-yl] 3,5-bis(trifluoromethyl)benzoate

Systemtic Name: [5-tert-butyl-2-(3-fluorophenyl)pyrazol-3-yl] 3,5-bis(trifluoromethyl)benzoate Openeye Name: [5-tert-butyl-2-(3-fluorophenyl)pyrazol-3-yl] 3,5-bis(trifluoromethyl)benzoate CAS Name: 3,5-bis(trifluoromethyl)benzoic acid [5-tert-butyl-2-(3-fluorophenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(3-fluorophenyl)pyrazol-3-yl] 3,5-bis(trifluoromethyl)benzoate Traditional Name: 3,5-bis(trifluoromethyl)benzoic acid [5-tert-butyl-2-(3-fluorophenyl)pyrazol-3-yl] ester Formula: C22H17F7N2O2 MolecularWeight: 474.371402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17F7N2O2/c1-20(2,3)17-11-18(31(30-17)16-6-4-5-15(23)10-16)33-19(32)12-7-13(21(24,25)26)9-14(8-12)22(27,28)29/h4-11H,1-3H3