[5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl] 3-(trifluoromethyl)benzoate

Systemtic Name: [5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl] 3-(trifluoromethyl)benzoate Openeye Name: [5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl] 3-(trifluoromethyl)benzoate CAS Name: 3-(trifluoromethyl)benzoic acid [5-tert-butyl-2-(3,4-dichlorophenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl] 3-(trifluoromethyl)benzoate Traditional Name: 3-(trifluoromethyl)benzoic acid [5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl] ester Formula: C21H17Cl2F3N2O2 MolecularWeight: 457.27309

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17Cl2F3N2O2/c1-20(2,3)17-11-18(28(27-17)14-7-8-15(22)16(23)10-14)30-19(29)12-5-4-6-13(9-12)21(24,25)26/h4-11H,1-3H3