2,5-dimethyl-4-[2,4,6-tris(chloranyl)phenyl]carbonyl-1H-pyrazol-3-one

Systemtic Name: 2,5-dimethyl-4-[2,4,6-tris(chloranyl)phenyl]carbonyl-1H-pyrazol-3-one Openeye Name: 2,5-dimethyl-4-(2,4,6-trichlorobenzoyl)-1H-pyrazol-3-one CAS Name: 2,5-dimethyl-4-[oxo-(2,4,6-trichlorophenyl)methyl]-1H-pyrazol-3-one IUPAC Name: 2,5-dimethyl-4-(2,4,6-trichlorobenzoyl)-1H-pyrazol-3-one Traditional Name: 2,5-dimethyl-4-(2,4,6-trichlorobenzoyl)-3-pyrazolin-3-one Formula: C12H9Cl3N2O2 MolecularWeight: 319.57106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C)C(=O)C2=C(C=C(C=C2Cl)Cl)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1)C)C(=O)C2=C(C=C(C=C2Cl)Cl)Cl

InChI

InChI=1S/C12H9Cl3N2O2/c1-5-9(12(19)17(2)16-5)11(18)10-7(14)3-6(13)4-8(10)15/h3-4,16H,1-2H3