2-[[4-chloranyl-3-(trifluoromethyl)phenyl]methyl]-4,5-dimethyl-1H-pyrazol-3-one

Systemtic Name: 2-[[4-chloranyl-3-(trifluoromethyl)phenyl]methyl]-4,5-dimethyl-1H-pyrazol-3-one Openeye Name: 2-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-4,5-dimethyl-1H-pyrazol-3-one CAS Name: 2-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-4,5-dimethyl-1H-pyrazol-3-one IUPAC Name: 2-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-4,5-dimethyl-1H-pyrazol-3-one Traditional Name: 2-[4-chloro-3-(trifluoromethyl)benzyl]-4,5-dimethyl-3-pyrazolin-3-one Formula: C13H12ClF3N2O MolecularWeight: 304.69539

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NN(C1=O)CC2=CC(=C(C=C2)Cl)C(F)(F)F)C

Isomeric SMILES

CC1=C(NN(C1=O)CC2=CC(=C(C=C2)Cl)C(F)(F)F)C

InChI

InChI=1S/C13H12ClF3N2O/c1-7-8(2)18-19(12(7)20)6-9-3-4-11(14)10(5-9)13(15,16)17/h3-5,18H,6H2,1-2H3