2-[3,5-bis(chloranyl)phenyl]-4-butan-2-yl-5-chloranyl-1H-pyrazol-3-one

Systemtic Name: 2-[3,5-bis(chloranyl)phenyl]-4-butan-2-yl-5-chloranyl-1H-pyrazol-3-one Openeye Name: 5-chloro-2-(3,5-dichlorophenyl)-4-sec-butyl-1H-pyrazol-3-one CAS Name: 4-butan-2-yl-5-chloro-2-(3,5-dichlorophenyl)-1H-pyrazol-3-one IUPAC Name: 4-butan-2-yl-5-chloro-2-(3,5-dichlorophenyl)-1H-pyrazol-3-one Traditional Name: 5-chloro-2-(3,5-dichlorophenyl)-4-sec-butyl-3-pyrazolin-3-one Formula: C13H13Cl3N2O MolecularWeight: 319.61412

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C(NN(C1=O)C2=CC(=CC(=C2)Cl)Cl)Cl

Isomeric SMILES

CCC(C)C1=C(NN(C1=O)C2=CC(=CC(=C2)Cl)Cl)Cl

InChI

InChI=1S/C13H13Cl3N2O/c1-3-7(2)11-12(16)17-18(13(11)19)10-5-8(14)4-9(15)6-10/h4-7,17H,3H2,1-2H3