6-bromanyl-2-[(E)-2-[5-(4-bromophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylate

Systemtic Name: 6-bromanyl-2-[(E)-2-[5-(4-bromophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylate Openeye Name: 6-bromo-2-[(E)-2-[5-(4-bromophenyl)-2-furyl]vinyl]quinoline-4-carboxylate CAS Name: 6-bromo-2-[(E)-2-[5-(4-bromophenyl)-2-furanyl]ethenyl]-4-quinolinecarboxylate IUPAC Name: 6-bromo-2-[(E)-2-[5-(4-bromophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylate Traditional Name: 6-bromo-2-[(E)-2-[5-(4-bromophenyl)-2-furyl]vinyl]cinchoninate Formula: C22H12Br2NO3- MolecularWeight: 498.14358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(O2)C=CC3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(O2)/C=C/C3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)[O-])Br

InChI

InChI=1S/C22H13Br2NO3/c23-14-3-1-13(2-4-14)21-10-8-17(28-21)7-6-16-12-19(22(26)27)18-11-15(24)5-9-20(18)25-16/h1-12H,(H,26,27)/p-1/b7-6+