(4S)-5-methyl-2-phenyl-4-[2,2,2-tris(fluoranyl)ethanoyl]-4H-pyrazol-3-one

Systemtic Name: (4S)-5-methyl-2-phenyl-4-[2,2,2-tris(fluoranyl)ethanoyl]-4H-pyrazol-3-one Openeye Name: (4S)-5-methyl-2-phenyl-4-(2,2,2-trifluoroacetyl)-4H-pyrazol-3-one CAS Name: (4S)-5-methyl-2-phenyl-4-(2,2,2-trifluoro-1-oxoethyl)-4H-pyrazol-3-one IUPAC Name: (4S)-5-methyl-2-phenyl-4-(2,2,2-trifluoroacetyl)-4H-pyrazol-3-one Traditional Name: (4S)-5-methyl-2-phenyl-4-(2,2,2-trifluoroacetyl)-2-pyrazolin-3-one Formula: C12H9F3N2O2 MolecularWeight: 270.20727

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C(=O)C(F)(F)F)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C12H9F3N2O2/c1-7-9(10(18)12(13,14)15)11(19)17(16-7)8-5-3-2-4-6-8/h2-6,9H,1H3/t9-/m0/s1