5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3,4-dione

Systemtic Name: 5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3,4-dione Openeye Name: 5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3,4-dione CAS Name: 5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3,4-dione IUPAC Name: 5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3,4-dione Traditional Name: 5-methyl-2-[3-(trifluoromethyl)benzyl]-2-pyrazoline-3,4-quinone Formula: C12H9F3N2O2 MolecularWeight: 270.20727

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9F3N2O2/c1-7-10(18)11(19)17(16-7)6-8-3-2-4-9(5-8)12(13,14)15/h2-5H,6H2,1H3