5-methyl-2-phenyl-4-[2,2,2-tris(chloranyl)ethanoyl]-4H-pyrazol-3-one

Systemtic Name: 5-methyl-2-phenyl-4-[2,2,2-tris(chloranyl)ethanoyl]-4H-pyrazol-3-one Openeye Name: 5-methyl-2-phenyl-4-(2,2,2-trichloroacetyl)-4H-pyrazol-3-one CAS Name: 5-methyl-2-phenyl-4-(2,2,2-trichloro-1-oxoethyl)-4H-pyrazol-3-one IUPAC Name: 5-methyl-2-phenyl-4-(2,2,2-trichloroacetyl)-4H-pyrazol-3-one Traditional Name: 5-methyl-2-phenyl-4-(2,2,2-trichloroacetyl)-2-pyrazolin-3-one Formula: C12H9Cl3N2O2 MolecularWeight: 319.57106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C(=O)C(Cl)(Cl)Cl)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=O)C1C(=O)C(Cl)(Cl)Cl)C2=CC=CC=C2

InChI

InChI=1S/C12H9Cl3N2O2/c1-7-9(10(18)12(13,14)15)11(19)17(16-7)8-5-3-2-4-6-8/h2-6,9H,1H3