2-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-6-bromanyl-quinoline-4-carboxylate

Systemtic Name: 2-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-6-bromanyl-quinoline-4-carboxylate Openeye Name: 2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-furyl]-6-bromo-quinoline-4-carboxylate CAS Name: 2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-furanyl]-6-bromo-4-quinolinecarboxylate IUPAC Name: 2-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-6-bromoquinoline-4-carboxylate Traditional Name: 2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-furyl]-6-bromo-cinchoninate Formula: C22H9BrF6NO3- MolecularWeight: 529.206179

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C(=CC(=N2)C3=CC=C(O3)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C(=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1Br)C(=CC(=N2)C3=CC=C(O3)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C(=O)[O-]

InChI

InChI=1S/C22H10BrF6NO3/c23-13-1-2-16-14(8-13)15(20(31)32)9-17(30-16)19-4-3-18(33-19)10-5-11(21(24,25)26)7-12(6-10)22(27,28)29/h1-9H,(H,31,32)/p-1