tert-butyl 2-[3-(4-chlorophenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxidanylidene-ethanoate

Systemtic Name: tert-butyl 2-[3-(4-chlorophenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxidanylidene-ethanoate Openeye Name: tert-butyl 2-[3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxo-acetate CAS Name: 2-[3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxoacetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxoacetate Traditional Name: 2-[3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-2-keto-acetic acid tert-butyl ester Formula: C16H16ClF3N2O4 MolecularWeight: 392.75745

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(=O)N1C(CC(=N1)C2=CC=C(C=C2)Cl)(C(F)(F)F)O

Isomeric SMILES

CC(C)(C)OC(=O)C(=O)N1C(CC(=N1)C2=CC=C(C=C2)Cl)(C(F)(F)F)O

InChI

InChI=1S/C16H16ClF3N2O4/c1-14(2,3)26-13(24)12(23)22-15(25,16(18,19)20)8-11(21-22)9-4-6-10(17)7-5-9/h4-7,25H,8H2,1-3H3