4-bromanyl-1-methyl-2-phenyl-5-[2,2,2-tris(fluoranyl)ethoxymethyl]pyrazol-3-one

Systemtic Name: 4-bromanyl-1-methyl-2-phenyl-5-[2,2,2-tris(fluoranyl)ethoxymethyl]pyrazol-3-one Openeye Name: 4-bromo-1-methyl-2-phenyl-5-(2,2,2-trifluoroethoxymethyl)pyrazol-3-one CAS Name: 4-bromo-1-methyl-2-phenyl-5-(2,2,2-trifluoroethoxymethyl)-3-pyrazolone IUPAC Name: 4-bromo-1-methyl-2-phenyl-5-(2,2,2-trifluoroethoxymethyl)pyrazol-3-one Traditional Name: 4-bromo-1-methyl-2-phenyl-5-(2,2,2-trifluoroethoxymethyl)-3-pyrazolin-3-one Formula: C13H12BrF3N2O2 MolecularWeight: 365.14579

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)COCC(F)(F)F

Isomeric SMILES

CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)COCC(F)(F)F

InChI

InChI=1S/C13H12BrF3N2O2/c1-18-10(7-21-8-13(15,16)17)11(14)12(20)19(18)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3