2-(4-bromanyl-3-chloranyl-phenyl)-4-oxidanyl-4-prop-2-enyl-5-(trifluoromethyl)pyrazol-3-one

Systemtic Name: 2-(4-bromanyl-3-chloranyl-phenyl)-4-oxidanyl-4-prop-2-enyl-5-(trifluoromethyl)pyrazol-3-one Openeye Name: 4-allyl-2-(4-bromo-3-chloro-phenyl)-4-hydroxy-5-(trifluoromethyl)pyrazol-3-one CAS Name: 2-(4-bromo-3-chlorophenyl)-4-hydroxy-4-prop-2-enyl-5-(trifluoromethyl)-3-pyrazolone IUPAC Name: 2-(4-bromo-3-chlorophenyl)-4-hydroxy-4-prop-2-enyl-5-(trifluoromethyl)pyrazol-3-one Traditional Name: 4-allyl-2-(4-bromo-3-chloro-phenyl)-4-hydroxy-5-(trifluoromethyl)-2-pyrazolin-3-one Formula: C13H9BrClF3N2O2 MolecularWeight: 397.57497

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1(C(=NN(C1=O)C2=CC(=C(C=C2)Br)Cl)C(F)(F)F)O

Isomeric SMILES

C=CCC1(C(=NN(C1=O)C2=CC(=C(C=C2)Br)Cl)C(F)(F)F)O

InChI

InChI=1S/C13H9BrClF3N2O2/c1-2-5-12(22)10(13(16,17)18)19-20(11(12)21)7-3-4-8(14)9(15)6-7/h2-4,6,22H,1,5H2