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

Systemtic Name: tert-butyl 2-[(5S)-3-(2-methylpropyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxidanylidene-ethanoate Openeye Name: tert-butyl 2-[(5S)-5-hydroxy-3-isobutyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxo-acetate CAS Name: 2-[(5S)-5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxoacetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(5S)-5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxoacetate Traditional Name: 2-[(5S)-5-hydroxy-3-isobutyl-5-(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)CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C14H21F3N2O4/c1-8(2)6-9-7-13(22,14(15,16)17)19(18-9)10(20)11(21)23-12(3,4)5/h8,22H,6-7H2,1-5H3/t13-/m0/s1