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

Systemtic Name: tert-butyl 2-[(5S)-5-tert-butyl-5-oxidanyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxidanylidene-ethanoate Openeye Name: tert-butyl 2-[(5S)-5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxo-acetate CAS Name: 2-[(5S)-5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxoacetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(5S)-5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxoacetate Traditional Name: 2-[(5S)-5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-2-pyrazolin-1-yl]-2-keto-acetic acid tert-butyl ester Formula: C14H21F3N2O4 MolecularWeight: 338.32275

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1(CC(=NN1C(=O)C(=O)OC(C)(C)C)C(F)(F)F)O

Isomeric SMILES

CC(C)(C)[C@]1(CC(=NN1C(=O)C(=O)OC(C)(C)C)C(F)(F)F)O

InChI

InChI=1S/C14H21F3N2O4/c1-11(2,3)13(22)7-8(14(15,16)17)18-19(13)9(20)10(21)23-12(4,5)6/h22H,7H2,1-6H3/t13-/m0/s1