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

Systemtic Name: 1-[(2-bromanyl-4-fluoranyl-phenyl)methyl]-6-oxidanylidene-pyridine-3-carboxylate Openeye Name: 1-[(2-bromo-4-fluoro-phenyl)methyl]-6-oxo-pyridine-3-carboxylate CAS Name: 1-[(2-bromo-4-fluorophenyl)methyl]-6-oxo-3-pyridinecarboxylate IUPAC Name: 1-[(2-bromo-4-fluorophenyl)methyl]-6-oxopyridine-3-carboxylate Traditional Name: 1-(2-bromo-4-fluoro-benzyl)-6-keto-nicotinate Formula: C13H8BrFNO3- MolecularWeight: 325.109923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)Br)CN2C=C(C=CC2=O)C(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1F)Br)CN2C=C(C=CC2=O)C(=O)[O-]

InChI

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