4-ethanoyl-2-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-one

Systemtic Name: 4-ethanoyl-2-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-one Openeye Name: 4-acetyl-2-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-one CAS Name: 4-acetyl-2-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-one IUPAC Name: 4-acetyl-2-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-one Traditional Name: 4-acetyl-2-phenyl-5-(trifluoromethyl)-3-pyrazolin-3-one Formula: C12H9F3N2O2 MolecularWeight: 270.20727

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(NN(C1=O)C2=CC=CC=C2)C(F)(F)F

Isomeric SMILES

CC(=O)C1=C(NN(C1=O)C2=CC=CC=C2)C(F)(F)F

InChI

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