2-[(E)-2-[5-(4-bromophenyl)furan-2-yl]ethenyl]-8-methyl-quinoline-4-carboxylic acid

Systemtic Name: 2-[(E)-2-[5-(4-bromophenyl)furan-2-yl]ethenyl]-8-methyl-quinoline-4-carboxylic acid Openeye Name: 2-[(E)-2-[5-(4-bromophenyl)-2-furyl]vinyl]-8-methyl-quinoline-4-carboxylic acid CAS Name: 2-[(E)-2-[5-(4-bromophenyl)-2-furanyl]ethenyl]-8-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-[(E)-2-[5-(4-bromophenyl)furan-2-yl]ethenyl]-8-methylquinoline-4-carboxylic acid Traditional Name: 2-[(E)-2-[5-(4-bromophenyl)-2-furyl]vinyl]-8-methyl-cinchoninic acid Formula: C23H16BrNO3 MolecularWeight: 434.28204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C(=O)O)C=CC3=CC=C(O3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C(=O)O)/C=C/C3=CC=C(O3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H16BrNO3/c1-14-3-2-4-19-20(23(26)27)13-17(25-22(14)19)9-10-18-11-12-21(28-18)15-5-7-16(24)8-6-15/h2-13H,1H3,(H,26,27)/b10-9+