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

Systemtic Name: 2-[(4S)-3-methyl-5-oxidanylidene-1-[5-(trifluoromethyl)pyridin-2-yl]-4H-pyrazol-4-yl]ethanoate Openeye Name: 2-[(4S)-3-methyl-5-oxo-1-[5-(trifluoromethyl)-2-pyridyl]-4H-pyrazol-4-yl]acetate CAS Name: 2-[(4S)-3-methyl-5-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyrazol-4-yl]acetate IUPAC Name: 2-[(4S)-3-methyl-5-oxo-1-[5-(trifluoromethyl)pyridin-2-yl]-4H-pyrazol-4-yl]acetate Traditional Name: 2-[(4S)-5-keto-3-methyl-1-[5-(trifluoromethyl)-2-pyridyl]-2-pyrazolin-4-yl]acetate Formula: C12H9F3N3O3- MolecularWeight: 300.21337

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10F3N3O3/c1-6-8(4-10(19)20)11(21)18(17-6)9-3-2-7(5-16-9)12(13,14)15/h2-3,5,8H,4H2,1H3,(H,19,20)/p-1/t8-/m0/s1