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

Systemtic Name: 4-(4-methoxyphenyl)carbonyl-2-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one Openeye Name: 4-(4-methoxybenzoyl)-2-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one CAS Name: 4-[(4-methoxyphenyl)-oxomethyl]-2-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one IUPAC Name: 4-(4-methoxybenzoyl)-2-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one Traditional Name: 2-methyl-4-p-anisoyl-5-(trifluoromethyl)-3-pyrazolin-3-one Formula: C13H11F3N2O3 MolecularWeight: 300.23325

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11F3N2O3/c1-18-12(20)9(11(17-18)13(14,15)16)10(19)7-3-5-8(21-2)6-4-7/h3-6,17H,1-2H3