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

Systemtic Name: ethyl 2-[(5S)-3-(3-bromophenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxidanylidene-ethanoate Openeye Name: ethyl 2-[(5S)-3-(3-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxo-acetate CAS Name: 2-[(5S)-3-(3-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxoacetic acid ethyl ester IUPAC Name: ethyl 2-[(5S)-3-(3-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxoacetate Traditional Name: 2-[(5S)-3-(3-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-2-keto-acetic acid ethyl ester Formula: C14H12BrF3N2O4 MolecularWeight: 409.15529

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12BrF3N2O4/c1-2-24-12(22)11(21)20-13(23,14(16,17)18)7-10(19-20)8-4-3-5-9(15)6-8/h3-6,23H,2,7H2,1H3/t13-/m0/s1