(2-chloranyl-6-fluoranyl-phenyl)methyl 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid (2-chloro-6-fluoro-benzyl) ester Formula: C13H9ClFNO3 MolecularWeight: 281.666863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9ClFNO3/c14-11-2-1-3-12(15)10(11)8-19-13(17)9-4-6-16(18)7-5-9/h1-7H,8H2