4-bromanyl-2-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one

Systemtic Name: 4-bromanyl-2-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one Openeye Name: 4-bromo-2-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one CAS Name: 4-bromo-2-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one IUPAC Name: 4-bromo-2-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one Traditional Name: 4-bromo-1-methyl-5-(trifluoromethyl)-3-pyrazolin-3-one Formula: C5H4BrF3N2O MolecularWeight: 244.99727

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1)Br)C(F)(F)F

Isomeric SMILES

CN1C(=C(C(=O)N1)Br)C(F)(F)F

InChI

InChI=1S/C5H4BrF3N2O/c1-11-3(5(7,8)9)2(6)4(12)10-11/h1H3,(H,10,12)