2-[2-[5-(2-bromanyl-4-nitro-phenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[2-[5-(2-bromanyl-4-nitro-phenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid Openeye Name: 2-[2-[5-(2-bromo-4-nitro-phenyl)-2-furyl]vinyl]quinoline-4-carboxylic acid CAS Name: 2-[2-[5-(2-bromo-4-nitrophenyl)-2-furanyl]ethenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[2-[5-(2-bromo-4-nitrophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid Traditional Name: 2-[2-[5-(2-bromo-4-nitro-phenyl)-2-furyl]vinyl]cinchoninic acid Formula: C22H13BrN2O5 MolecularWeight: 465.25302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C=CC3=CC=C(O3)C4=C(C=C(C=C4)[N+](=O)[O-])Br)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C=CC3=CC=C(O3)C4=C(C=C(C=C4)[N+](=O)[O-])Br)C(=O)O

InChI

InChI=1S/C22H13BrN2O5/c23-19-12-14(25(28)29)6-9-17(19)21-10-8-15(30-21)7-5-13-11-18(22(26)27)16-3-1-2-4-20(16)24-13/h1-12H,(H,26,27)