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

Systemtic Name: ethyl 2-[(5S)-3-(4-methylphenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxidanylidene-ethanoate Openeye Name: ethyl 2-[(5S)-5-hydroxy-3-(p-tolyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxo-acetate CAS Name: 2-[(5S)-5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxoacetic acid ethyl ester IUPAC Name: ethyl 2-[(5S)-5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxoacetate Traditional Name: 2-[(5S)-5-hydroxy-3-(p-tolyl)-5-(trifluoromethyl)-2-pyrazolin-1-yl]-2-keto-acetic acid ethyl ester Formula: C15H15F3N2O4 MolecularWeight: 344.28581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15F3N2O4/c1-3-24-13(22)12(21)20-14(23,15(16,17)18)8-11(19-20)10-6-4-9(2)5-7-10/h4-7,23H,3,8H2,1-2H3/t14-/m0/s1