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

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: (5-bromo-2-methoxy-phenyl)methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid (5-bromo-2-methoxyphenyl)methyl ester IUPAC Name: (5-bromo-2-methoxyphenyl)methyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid (5-bromo-2-methoxy-benzyl) ester Formula: C14H12BrNO4 MolecularWeight: 338.15338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)COC(=O)C2=CC=[N+](C=C2)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)Br)COC(=O)C2=CC=[N+](C=C2)[O-]

InChI

InChI=1S/C14H12BrNO4/c1-19-13-3-2-12(15)8-11(13)9-20-14(17)10-4-6-16(18)7-5-10/h2-8H,9H2,1H3