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

Systemtic Name: 1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-5-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-[(4-bromo-2-fluoro-phenyl)methyl]-5-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-[(4-bromo-2-fluorophenyl)methyl]-5-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-[(4-bromo-2-fluorophenyl)methyl]-5-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(4-bromo-2-fluoro-benzyl)-5-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C17H10BrF2NO3 MolecularWeight: 394.167006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)F)C(=O)C(=CN2CC3=C(C=C(C=C3)Br)F)C(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)F)C(=O)C(=CN2CC3=C(C=C(C=C3)Br)F)C(=O)O

InChI

InChI=1S/C17H10BrF2NO3/c18-10-5-4-9(13(20)6-10)7-21-8-11(17(23)24)16(22)15-12(19)2-1-3-14(15)21/h1-6,8H,7H2,(H,23,24)