2-[5,7-bis(chloranyl)-1-benzofuran-2-yl]-6-bromanyl-quinoline-4-carboxylic acid

Systemtic Name: 2-[5,7-bis(chloranyl)-1-benzofuran-2-yl]-6-bromanyl-quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-(5,7-dichlorobenzofuran-2-yl)quinoline-4-carboxylic acid CAS Name: 6-bromo-2-(5,7-dichloro-2-benzofuranyl)-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-(5,7-dichloro-1-benzofuran-2-yl)quinoline-4-carboxylic acid Traditional Name: 6-bromo-2-(5,7-dichlorobenzofuran-2-yl)cinchoninic acid Formula: C18H8BrCl2NO3 MolecularWeight: 437.07102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C(=CC(=N2)C3=CC4=CC(=CC(=C4O3)Cl)Cl)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1Br)C(=CC(=N2)C3=CC4=CC(=CC(=C4O3)Cl)Cl)C(=O)O

InChI

InChI=1S/C18H8BrCl2NO3/c19-9-1-2-14-11(5-9)12(18(23)24)7-15(22-14)16-4-8-3-10(20)6-13(21)17(8)25-16/h1-7H,(H,23,24)