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

Systemtic Name: 4-bromanyl-2-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one Openeye Name: 4-bromo-2-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one CAS Name: 4-bromo-2-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one IUPAC Name: 4-bromo-2-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one Traditional Name: 4-bromo-2-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(=O)C(=C(N1)C(F)(F)F)Br

Isomeric SMILES

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

InChI

InChI=1S/C5H4BrF3N2O/c1-11-4(12)2(6)3(10-11)5(7,8)9/h10H,1H3