2-[3,4-bis(fluoranyl)phenyl]-6-bromanyl-quinoline-4-carboxylic acid

Systemtic Name: 2-[3,4-bis(fluoranyl)phenyl]-6-bromanyl-quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-(3,4-difluorophenyl)quinoline-4-carboxylic acid CAS Name: 6-bromo-2-(3,4-difluorophenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-(3,4-difluorophenyl)quinoline-4-carboxylic acid Traditional Name: 6-bromo-2-(3,4-difluorophenyl)cinchoninic acid Formula: C16H8BrF2NO2 MolecularWeight: 364.141026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O)F)F

Isomeric SMILES

C1=CC(=C(C=C1C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O)F)F

InChI

InChI=1S/C16H8BrF2NO2/c17-9-2-4-14-10(6-9)11(16(21)22)7-15(20-14)8-1-3-12(18)13(19)5-8/h1-7H,(H,21,22)