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

Systemtic Name: 2-[2,4-bis(fluoranyl)phenyl]-5-tert-butyl-4H-pyrazol-3-one Openeye Name: 5-tert-butyl-2-(2,4-difluorophenyl)-4H-pyrazol-3-one CAS Name: 5-tert-butyl-2-(2,4-difluorophenyl)-4H-pyrazol-3-one IUPAC Name: 5-tert-butyl-2-(2,4-difluorophenyl)-4H-pyrazol-3-one Traditional Name: 5-tert-butyl-2-(2,4-difluorophenyl)-2-pyrazolin-3-one Formula: C13H14F2N2O MolecularWeight: 252.259866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14F2N2O/c1-13(2,3)11-7-12(18)17(16-11)10-5-4-8(14)6-9(10)15/h4-6H,7H2,1-3H3