6-bromanyl-2-[(E)-2-[5-(2-chlorophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-2-[(E)-2-[5-(2-chlorophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-[(E)-2-[5-(2-chlorophenyl)-2-furyl]vinyl]quinoline-4-carboxylic acid CAS Name: 6-bromo-2-[(E)-2-[5-(2-chlorophenyl)-2-furanyl]ethenyl]-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-[(E)-2-[5-(2-chlorophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid Traditional Name: 6-bromo-2-[(E)-2-[5-(2-chlorophenyl)-2-furyl]vinyl]cinchoninic acid Formula: C22H13BrClNO3 MolecularWeight: 454.70052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(O2)C=CC3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(O2)/C=C/C3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)O)Cl

InChI

InChI=1S/C22H13BrClNO3/c23-13-5-9-20-17(11-13)18(22(26)27)12-14(25-20)6-7-15-8-10-21(28-15)16-3-1-2-4-19(16)24/h1-12H,(H,26,27)/b7-6+