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

Systemtic Name: ethyl 2-[(5S)-3-(2-methylpropyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxidanylidene-ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C12H17F3N2O4 MolecularWeight: 310.26959

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)N1C(CC(=N1)CC(C)C)(C(F)(F)F)O

Isomeric SMILES

CCOC(=O)C(=O)N1[C@](CC(=N1)CC(C)C)(C(F)(F)F)O

InChI

InChI=1S/C12H17F3N2O4/c1-4-21-10(19)9(18)17-11(20,12(13,14)15)6-8(16-17)5-7(2)3/h7,20H,4-6H2,1-3H3/t11-/m0/s1