6-bromanyl-2-[5-(2-carboxyphenyl)furan-2-yl]quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-2-[5-(2-carboxyphenyl)furan-2-yl]quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-[5-(2-carboxyphenyl)-2-furyl]quinoline-4-carboxylic acid CAS Name: 6-bromo-2-[5-(2-carboxyphenyl)-2-furanyl]-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-[5-(2-carboxyphenyl)furan-2-yl]quinoline-4-carboxylic acid Traditional Name: 6-bromo-2-[5-(2-carboxyphenyl)-2-furyl]cinchoninic acid Formula: C21H12BrNO5 MolecularWeight: 438.22768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H12BrNO5/c22-11-5-6-16-14(9-11)15(21(26)27)10-17(23-16)19-8-7-18(28-19)12-3-1-2-4-13(12)20(24)25/h1-10H,(H,24,25)(H,26,27)