6-bromanyl-2-[(E)-2-[5-(3-chlorophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-2-[(E)-2-[5-(3-chlorophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-[(E)-2-[5-(3-chlorophenyl)-2-furyl]vinyl]quinoline-4-carboxylic acid CAS Name: 6-bromo-2-[(E)-2-[5-(3-chlorophenyl)-2-furanyl]ethenyl]-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-[(E)-2-[5-(3-chlorophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid Traditional Name: 6-bromo-2-[(E)-2-[5-(3-chlorophenyl)-2-furyl]vinyl]cinchoninic acid Formula: C22H13BrClNO3 MolecularWeight: 454.70052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H13BrClNO3/c23-14-4-8-20-18(11-14)19(22(26)27)12-16(25-20)5-6-17-7-9-21(28-17)13-2-1-3-15(24)10-13/h1-12H,(H,26,27)/b6-5+