2-(5-bromanyl-1-benzofuran-2-yl)-6-(trifluoromethyloxy)quinoline-4-carboxylic acid

Systemtic Name: 2-(5-bromanyl-1-benzofuran-2-yl)-6-(trifluoromethyloxy)quinoline-4-carboxylic acid Openeye Name: 2-(5-bromobenzofuran-2-yl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid CAS Name: 2-(5-bromo-2-benzofuranyl)-6-(trifluoromethoxy)-4-quinolinecarboxylic acid IUPAC Name: 2-(5-bromo-1-benzofuran-2-yl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid Traditional Name: 2-(5-bromobenzofuran-2-yl)-6-(trifluoromethoxy)cinchoninic acid Formula: C19H9BrF3NO4 MolecularWeight: 452.17827

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1OC(F)(F)F)C(=CC(=N2)C3=CC4=C(O3)C=CC(=C4)Br)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1OC(F)(F)F)C(=CC(=N2)C3=CC4=C(O3)C=CC(=C4)Br)C(=O)O

InChI

InChI=1S/C19H9BrF3NO4/c20-10-1-4-16-9(5-10)6-17(27-16)15-8-13(18(25)26)12-7-11(28-19(21,22)23)2-3-14(12)24-15/h1-8H,(H,25,26)