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

Systemtic Name: 2-phenyl-5-(trifluoromethyl)-3H-pyrazol-4-one Openeye Name: 2-phenyl-5-(trifluoromethyl)-3H-pyrazol-4-one CAS Name: 2-phenyl-5-(trifluoromethyl)-3H-pyrazol-4-one IUPAC Name: 2-phenyl-5-(trifluoromethyl)-3H-pyrazol-4-one Traditional Name: 1-phenyl-3-(trifluoromethyl)-2-pyrazolin-4-one Formula: C10H7F3N2O MolecularWeight: 228.17059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=NN1C2=CC=CC=C2)C(F)(F)F

Isomeric SMILES

C1C(=O)C(=NN1C2=CC=CC=C2)C(F)(F)F

InChI

InChI=1S/C10H7F3N2O/c11-10(12,13)9-8(16)6-15(14-9)7-4-2-1-3-5-7/h1-5H,6H2