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

Systemtic Name: 2-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-5-tert-butyl-4H-pyrazol-3-one Openeye Name: 5-tert-butyl-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4H-pyrazol-3-one CAS Name: 5-tert-butyl-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4H-pyrazol-3-one IUPAC Name: 5-tert-butyl-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4H-pyrazol-3-one Traditional Name: 5-tert-butyl-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-pyrazolin-3-one Formula: C14H13Cl2F3N2O MolecularWeight: 353.16703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=O)C1)C2=C(C=C(C=C2Cl)C(F)(F)F)Cl

Isomeric SMILES

CC(C)(C)C1=NN(C(=O)C1)C2=C(C=C(C=C2Cl)C(F)(F)F)Cl

InChI

InChI=1S/C14H13Cl2F3N2O/c1-13(2,3)10-6-11(22)21(20-10)12-8(15)4-7(5-9(12)16)14(17,18)19/h4-5H,6H2,1-3H3