2-[5-[2,5-bis(chloranyl)phenyl]furan-2-yl]-6-bromanyl-quinoline-4-carboxylate

Systemtic Name: 2-[5-[2,5-bis(chloranyl)phenyl]furan-2-yl]-6-bromanyl-quinoline-4-carboxylate Openeye Name: 6-bromo-2-[5-(2,5-dichlorophenyl)-2-furyl]quinoline-4-carboxylate CAS Name: 6-bromo-2-[5-(2,5-dichlorophenyl)-2-furanyl]-4-quinolinecarboxylate IUPAC Name: 6-bromo-2-[5-(2,5-dichlorophenyl)furan-2-yl]quinoline-4-carboxylate Traditional Name: 6-bromo-2-[5-(2,5-dichlorophenyl)-2-furyl]cinchoninate Formula: C20H9BrCl2NO3- MolecularWeight: 462.10036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)C2=CC=C(O2)C3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1Cl)C2=CC=C(O2)C3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)[O-])Cl

InChI

InChI=1S/C20H10BrCl2NO3/c21-10-1-4-16-12(7-10)13(20(25)26)9-17(24-16)19-6-5-18(27-19)14-8-11(22)2-3-15(14)23/h1-9H,(H,25,26)/p-1