2-[(4S)-3-methyl-5-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-4H-pyrazol-4-yl]ethanoate

Systemtic Name: 2-[(4S)-3-methyl-5-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-4H-pyrazol-4-yl]ethanoate Openeye Name: 2-[(4S)-3-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-4H-pyrazol-4-yl]acetate CAS Name: 2-[(4S)-3-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-4H-pyrazol-4-yl]acetate IUPAC Name: 2-[(4S)-3-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-4H-pyrazol-4-yl]acetate Traditional Name: 2-[(4S)-5-keto-3-methyl-1-[3-(trifluoromethyl)phenyl]-2-pyrazolin-4-yl]acetate Formula: C13H10F3N2O3- MolecularWeight: 299.22531

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1CC(=O)[O-])C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CC1=NN(C(=O)[C@H]1CC(=O)[O-])C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C13H11F3N2O3/c1-7-10(6-11(19)20)12(21)18(17-7)9-4-2-3-8(5-9)13(14,15)16/h2-5,10H,6H2,1H3,(H,19,20)/p-1/t10-/m0/s1