6-bromanyl-2-[5-(3-chloranyl-4-fluoranyl-phenyl)furan-2-yl]quinoline-4-carboxylate

Systemtic Name: 6-bromanyl-2-[5-(3-chloranyl-4-fluoranyl-phenyl)furan-2-yl]quinoline-4-carboxylate Openeye Name: 6-bromo-2-[5-(3-chloro-4-fluoro-phenyl)-2-furyl]quinoline-4-carboxylate CAS Name: 6-bromo-2-[5-(3-chloro-4-fluorophenyl)-2-furanyl]-4-quinolinecarboxylate IUPAC Name: 6-bromo-2-[5-(3-chloro-4-fluorophenyl)furan-2-yl]quinoline-4-carboxylate Traditional Name: 6-bromo-2-[5-(3-chloro-4-fluoro-phenyl)-2-furyl]cinchoninate Formula: C20H9BrClFNO3- MolecularWeight: 445.645763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=CC=C(O2)C3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)[O-])Cl)F

Isomeric SMILES

C1=CC(=C(C=C1C2=CC=C(O2)C3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)[O-])Cl)F

InChI

InChI=1S/C20H10BrClFNO3/c21-11-2-4-16-12(8-11)13(20(25)26)9-17(24-16)19-6-5-18(27-19)10-1-3-15(23)14(22)7-10/h1-9H,(H,25,26)/p-1