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

Systemtic Name: 2-(5-bromanyl-1-benzofuran-2-yl)-6-ethoxy-quinoline-4-carboxylic acid Openeye Name: 2-(5-bromobenzofuran-2-yl)-6-ethoxy-quinoline-4-carboxylic acid CAS Name: 2-(5-bromo-2-benzofuranyl)-6-ethoxy-4-quinolinecarboxylic acid IUPAC Name: 2-(5-bromo-1-benzofuran-2-yl)-6-ethoxyquinoline-4-carboxylic acid Traditional Name: 2-(5-bromobenzofuran-2-yl)-6-ethoxy-cinchoninic acid Formula: C20H14BrNO4 MolecularWeight: 412.23346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC4=C(O3)C=CC(=C4)Br

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC4=C(O3)C=CC(=C4)Br

InChI

InChI=1S/C20H14BrNO4/c1-2-25-13-4-5-16-14(9-13)15(20(23)24)10-17(22-16)19-8-11-7-12(21)3-6-18(11)26-19/h3-10H,2H2,1H3,(H,23,24)