6-bromanyl-2-[5-(2-bromanyl-4-methyl-phenyl)furan-2-yl]quinoline-4-carboxylate

Systemtic Name: 6-bromanyl-2-[5-(2-bromanyl-4-methyl-phenyl)furan-2-yl]quinoline-4-carboxylate Openeye Name: 6-bromo-2-[5-(2-bromo-4-methyl-phenyl)-2-furyl]quinoline-4-carboxylate CAS Name: 6-bromo-2-[5-(2-bromo-4-methylphenyl)-2-furanyl]-4-quinolinecarboxylate IUPAC Name: 6-bromo-2-[5-(2-bromo-4-methylphenyl)furan-2-yl]quinoline-4-carboxylate Traditional Name: 6-bromo-2-[5-(2-bromo-4-methyl-phenyl)-2-furyl]cinchoninate Formula: C21H12Br2NO3- MolecularWeight: 486.13288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CC=C(O2)C3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)[O-])Br

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CC=C(O2)C3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)[O-])Br

InChI

InChI=1S/C21H13Br2NO3/c1-11-2-4-13(16(23)8-11)19-6-7-20(27-19)18-10-15(21(25)26)14-9-12(22)3-5-17(14)24-18/h2-10H,1H3,(H,25,26)/p-1