2-(4-bromanyl-3-chloranyl-phenyl)-4-prop-2-enyl-5-(trifluoromethyl)-1H-pyrazol-3-one

Systemtic Name: 2-(4-bromanyl-3-chloranyl-phenyl)-4-prop-2-enyl-5-(trifluoromethyl)-1H-pyrazol-3-one Openeye Name: 4-allyl-2-(4-bromo-3-chloro-phenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one CAS Name: 2-(4-bromo-3-chlorophenyl)-4-prop-2-enyl-5-(trifluoromethyl)-1H-pyrazol-3-one IUPAC Name: 2-(4-bromo-3-chlorophenyl)-4-prop-2-enyl-5-(trifluoromethyl)-1H-pyrazol-3-one Traditional Name: 4-allyl-2-(4-bromo-3-chloro-phenyl)-5-(trifluoromethyl)-3-pyrazolin-3-one Formula: C13H9BrClF3N2O MolecularWeight: 381.57557

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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

Isomeric SMILES

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

InChI

InChI=1S/C13H9BrClF3N2O/c1-2-3-8-11(13(16,17)18)19-20(12(8)21)7-4-5-9(14)10(15)6-7/h2,4-6,19H,1,3H2