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

Systemtic Name: 5-tert-butyl-2-[2,4,6-tris(chloranyl)phenyl]-1H-pyrazol-3-one Openeye Name: 5-tert-butyl-2-(2,4,6-trichlorophenyl)-1H-pyrazol-3-one CAS Name: 5-tert-butyl-2-(2,4,6-trichlorophenyl)-1H-pyrazol-3-one IUPAC Name: 5-tert-butyl-2-(2,4,6-trichlorophenyl)-1H-pyrazol-3-one Traditional Name: 5-tert-butyl-2-(2,4,6-trichlorophenyl)-3-pyrazolin-3-one Formula: C13H13Cl3N2O MolecularWeight: 319.61412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=O)N(N1)C2=C(C=C(C=C2Cl)Cl)Cl

Isomeric SMILES

CC(C)(C)C1=CC(=O)N(N1)C2=C(C=C(C=C2Cl)Cl)Cl

InChI

InChI=1S/C13H13Cl3N2O/c1-13(2,3)10-6-11(19)18(17-10)12-8(15)4-7(14)5-9(12)16/h4-6,17H,1-3H3