6-bromanyl-2-[5-[4-chloranyl-3-(trifluoromethyl)phenyl]furan-2-yl]quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-2-[5-[4-chloranyl-3-(trifluoromethyl)phenyl]furan-2-yl]quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-[5-[4-chloro-3-(trifluoromethyl)phenyl]-2-furyl]quinoline-4-carboxylic acid CAS Name: 6-bromo-2-[5-[4-chloro-3-(trifluoromethyl)phenyl]-2-furanyl]-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]quinoline-4-carboxylic acid Traditional Name: 6-bromo-2-[5-[4-chloro-3-(trifluoromethyl)phenyl]-2-furyl]cinchoninic acid Formula: C21H10BrClF3NO3 MolecularWeight: 496.66121

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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)C(F)(F)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H10BrClF3NO3/c22-11-2-4-16-12(8-11)13(20(28)29)9-17(27-16)19-6-5-18(30-19)10-1-3-15(23)14(7-10)21(24,25)26/h1-9H,(H,28,29)