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1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-5,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-5,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name:1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-5,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid
Openeye Name:1-[(4-bromo-2-fluoro-phenyl)methyl]-5,8-difluoro-4-oxo-quinoline-3-carboxylic acid
CAS Name:1-[(4-bromo-2-fluorophenyl)methyl]-5,8-difluoro-4-oxo-3-quinolinecarboxylic acid
IUPAC Name:1-[(4-bromo-2-fluorophenyl)methyl]-5,8-difluoro-4-oxoquinoline-3-carboxylic acid
Traditional Name:1-(4-bromo-2-fluoro-benzyl)-5,8-difluoro-4-keto-quinoline-3-carboxylic acid
Formula: C17H9BrF3NO3
MolecularWeight: 412.15747
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)F)CN2C=C(C(=O)C3=C(C=CC(=C32)F)F)C(=O)O


Isomeric SMILES

C1=CC(=C(C=C1Br)F)CN2C=C(C(=O)C3=C(C=CC(=C32)F)F)C(=O)O


InChI

InChI=1S/C17H9BrF3NO3/c18-9-2-1-8(13(21)5-9)6-22-7-10(17(24)25)16(23)14-11(19)3-4-12(20)15(14)22/h1-5,7H,6H2,(H,24,25)


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