5-[bis(oxidanyl)methylidene]-3-[4-methoxy-3-(trifluoromethyl)phenyl]-1-methyl-pyrazol-4-one

Systemtic Name: 5-[bis(oxidanyl)methylidene]-3-[4-methoxy-3-(trifluoromethyl)phenyl]-1-methyl-pyrazol-4-one Openeye Name: 5-(dihydroxymethylene)-3-[4-methoxy-3-(trifluoromethyl)phenyl]-1-methyl-pyrazol-4-one CAS Name: 5-(dihydroxymethylidene)-3-[4-methoxy-3-(trifluoromethyl)phenyl]-1-methyl-4-pyrazolone IUPAC Name: 5-(dihydroxymethylidene)-3-[4-methoxy-3-(trifluoromethyl)phenyl]-1-methylpyrazol-4-one Traditional Name: 5-(dihydroxymethylene)-3-[4-methoxy-3-(trifluoromethyl)phenyl]-1-methyl-2-pyrazolin-4-one Formula: C13H11F3N2O4 MolecularWeight: 316.23265

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(O)O)C(=O)C(=N1)C2=CC(=C(C=C2)OC)C(F)(F)F

Isomeric SMILES

CN1C(=C(O)O)C(=O)C(=N1)C2=CC(=C(C=C2)OC)C(F)(F)F

InChI

InChI=1S/C13H11F3N2O4/c1-18-10(12(20)21)11(19)9(17-18)6-3-4-8(22-2)7(5-6)13(14,15)16/h3-5,20-21H,1-2H3