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

Systemtic Name: tert-butyl 2-oxidanylidene-2-[(3R)-3-oxidanyl-5-phenyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]ethanoate Openeye Name: tert-butyl 2-[(3R)-3-hydroxy-5-phenyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-oxo-acetate CAS Name: 2-[(3R)-3-hydroxy-5-phenyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-oxoacetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3R)-3-hydroxy-5-phenyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-oxoacetate Traditional Name: 2-[(5R)-5-hydroxy-3-phenyl-5-(trifluoromethyl)-3-pyrazolin-1-yl]-2-keto-acetic acid tert-butyl ester Formula: C16H17F3N2O4 MolecularWeight: 358.31239

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)OC(=O)C(=O)N1[C@@](C=C(N1)C2=CC=CC=C2)(C(F)(F)F)O

InChI

InChI=1S/C16H17F3N2O4/c1-14(2,3)25-13(23)12(22)21-15(24,16(17,18)19)9-11(20-21)10-7-5-4-6-8-10/h4-9,20,24H,1-3H3/t15-/m1/s1