[3-[2-bromanyl-1-methyl-5-(trifluoromethyl)pyrrol-3-yl]-4-fluoranyl-phenyl] 2-chloranylbutaneperoxoate

Systemtic Name: [3-[2-bromanyl-1-methyl-5-(trifluoromethyl)pyrrol-3-yl]-4-fluoranyl-phenyl] 2-chloranylbutaneperoxoate Openeye Name: [3-[2-bromo-1-methyl-5-(trifluoromethyl)pyrrol-3-yl]-4-fluoro-phenyl] 2-chlorobutaneperoxoate CAS Name: 2-chlorobutaneperoxoic acid [3-[2-bromo-1-methyl-5-(trifluoromethyl)-3-pyrrolyl]-4-fluorophenyl] ester IUPAC Name: [3-[2-bromo-1-methyl-5-(trifluoromethyl)pyrrol-3-yl]-4-fluorophenyl] 2-chlorobutaneperoxoate Traditional Name: 2-chloroperoxybutyric acid [3-[2-bromo-1-methyl-5-(trifluoromethyl)pyrrol-3-yl]-4-fluoro-phenyl] ester Formula: C16H13BrClF4NO3 MolecularWeight: 458.629933

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OOC1=CC(=C(C=C1)F)C2=C(N(C(=C2)C(F)(F)F)C)Br)Cl

Isomeric SMILES

CCC(C(=O)OOC1=CC(=C(C=C1)F)C2=C(N(C(=C2)C(F)(F)F)C)Br)Cl

InChI

InChI=1S/C16H13BrClF4NO3/c1-3-11(18)15(24)26-25-8-4-5-12(19)9(6-8)10-7-13(16(20,21)22)23(2)14(10)17/h4-7,11H,3H2,1-2H3