1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-oxidanylidene-pyridine-3-carboxylic acid

Systemtic Name: 1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 1-[(4-bromo-2-fluoro-phenyl)methyl]-6-oxo-pyridine-3-carboxylic acid CAS Name: 1-[(4-bromo-2-fluorophenyl)methyl]-6-oxo-3-pyridinecarboxylic acid IUPAC Name: 1-[(4-bromo-2-fluorophenyl)methyl]-6-oxopyridine-3-carboxylic acid Traditional Name: 1-(4-bromo-2-fluoro-benzyl)-6-keto-nicotinic acid Formula: C13H9BrFNO3 MolecularWeight: 326.117863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)F)CN2C=C(C=CC2=O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1Br)F)CN2C=C(C=CC2=O)C(=O)O

InChI

InChI=1S/C13H9BrFNO3/c14-10-3-1-8(11(15)5-10)6-16-7-9(13(18)19)2-4-12(16)17/h1-5,7H,6H2,(H,18,19)