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

Systemtic Name: tert-butyl 2-oxidanylidene-2-[(5S)-5-oxidanyl-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanoate Openeye Name: tert-butyl 2-[(5S)-5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxo-acetate CAS Name: 2-[(5S)-5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxoacetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(5S)-5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxoacetate Traditional Name: 2-[(5S)-5-hydroxy-3-propyl-5-(trifluoromethyl)-2-pyrazolin-1-yl]-2-keto-acetic acid tert-butyl ester Formula: C13H19F3N2O4 MolecularWeight: 324.29617

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C(=O)OC(C)(C)C

Isomeric SMILES

CCCC1=NN([C@](C1)(C(F)(F)F)O)C(=O)C(=O)OC(C)(C)C

InChI

InChI=1S/C13H19F3N2O4/c1-5-6-8-7-12(21,13(14,15)16)18(17-8)9(19)10(20)22-11(2,3)4/h21H,5-7H2,1-4H3/t12-/m0/s1