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

Systemtic Name: tert-butyl 2-[(5S)-3-(4-methylphenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxidanylidene-ethanoate Openeye Name: tert-butyl 2-[(5S)-5-hydroxy-3-(p-tolyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxo-acetate CAS Name: 2-[(5S)-5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxoacetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(5S)-5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxoacetate Traditional Name: 2-[(5S)-5-hydroxy-3-(p-tolyl)-5-(trifluoromethyl)-2-pyrazolin-1-yl]-2-keto-acetic acid tert-butyl ester Formula: C17H19F3N2O4 MolecularWeight: 372.33897

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(C2)(C(F)(F)F)O)C(=O)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN([C@](C2)(C(F)(F)F)O)C(=O)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H19F3N2O4/c1-10-5-7-11(8-6-10)12-9-16(25,17(18,19)20)22(21-12)13(23)14(24)26-15(2,3)4/h5-8,25H,9H2,1-4H3/t16-/m0/s1