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

Systemtic Name: 2,5-dimethyl-4-[2,3,5-tris(chloranyl)-4-methyl-phenyl]-1H-pyrazol-3-one Openeye Name: 2,5-dimethyl-4-(2,3,5-trichloro-4-methyl-phenyl)-1H-pyrazol-3-one CAS Name: 2,5-dimethyl-4-(2,3,5-trichloro-4-methylphenyl)-1H-pyrazol-3-one IUPAC Name: 2,5-dimethyl-4-(2,3,5-trichloro-4-methylphenyl)-1H-pyrazol-3-one Traditional Name: 2,5-dimethyl-4-(2,3,5-trichloro-4-methyl-phenyl)-3-pyrazolin-3-one Formula: C12H11Cl3N2O MolecularWeight: 305.58754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1Cl)Cl)C2=C(NN(C2=O)C)C)Cl

Isomeric SMILES

CC1=C(C=C(C(=C1Cl)Cl)C2=C(NN(C2=O)C)C)Cl

InChI

InChI=1S/C12H11Cl3N2O/c1-5-8(13)4-7(11(15)10(5)14)9-6(2)16-17(3)12(9)18/h4,16H,1-3H3