methyl 4-bromanyl-2-(trifluoromethyl)-6-(trifluoromethyloxy)quinoline-3-carboxylate

Systemtic Name: methyl 4-bromanyl-2-(trifluoromethyl)-6-(trifluoromethyloxy)quinoline-3-carboxylate Openeye Name: methyl 4-bromo-6-(trifluoromethoxy)-2-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-bromo-6-(trifluoromethoxy)-2-(trifluoromethyl)-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-bromo-6-(trifluoromethoxy)-2-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-bromo-6-(trifluoromethoxy)-2-(trifluoromethyl)quinoline-3-carboxylic acid methyl ester Formula: C13H6BrF6NO3 MolecularWeight: 418.086059

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(C=CC(=C2)OC(F)(F)F)N=C1C(F)(F)F)Br

Isomeric SMILES

COC(=O)C1=C(C2=C(C=CC(=C2)OC(F)(F)F)N=C1C(F)(F)F)Br

InChI

InChI=1S/C13H6BrF6NO3/c1-23-11(22)8-9(14)6-4-5(24-13(18,19)20)2-3-7(6)21-10(8)12(15,16)17/h2-4H,1H3