(4-bromanyl-2-fluoranyl-phenyl)methyl 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid (4-bromo-2-fluoro-benzyl) ester Formula: C13H9BrFNO3 MolecularWeight: 326.117863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)F)COC(=O)C2=CC=[N+](C=C2)[O-]

Isomeric SMILES

C1=CC(=C(C=C1Br)F)COC(=O)C2=CC=[N+](C=C2)[O-]

InChI

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