1-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-6-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: 1-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-6-oxidanylidene-pyridine-3-carboxylate Openeye Name: 1-[(5-bromo-2-fluoro-phenyl)methyl]-6-oxo-pyridine-3-carboxylate CAS Name: 1-[(5-bromo-2-fluorophenyl)methyl]-6-oxo-3-pyridinecarboxylate IUPAC Name: 1-[(5-bromo-2-fluorophenyl)methyl]-6-oxopyridine-3-carboxylate Traditional Name: 1-(5-bromo-2-fluoro-benzyl)-6-keto-nicotinate Formula: C13H8BrFNO3- MolecularWeight: 325.109923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)CN2C=C(C=CC2=O)C(=O)[O-])F

Isomeric SMILES

C1=CC(=C(C=C1Br)CN2C=C(C=CC2=O)C(=O)[O-])F

InChI

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