6-bromanyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]quinoline-4-carboxylate

Systemtic Name: 6-bromanyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]quinoline-4-carboxylate Openeye Name: 6-bromo-2-[5-[2-(trifluoromethyl)phenyl]-2-furyl]quinoline-4-carboxylate CAS Name: 6-bromo-2-[5-[2-(trifluoromethyl)phenyl]-2-furanyl]-4-quinolinecarboxylate IUPAC Name: 6-bromo-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]quinoline-4-carboxylate Traditional Name: 6-bromo-2-[5-[2-(trifluoromethyl)phenyl]-2-furyl]cinchoninate Formula: C21H10BrF3NO3- MolecularWeight: 461.20821

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H11BrF3NO3/c22-11-5-6-16-13(9-11)14(20(27)28)10-17(26-16)19-8-7-18(29-19)12-3-1-2-4-15(12)21(23,24)25/h1-10H,(H,27,28)/p-1