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

Systemtic Name: (3-bromanyl-4-methoxy-phenyl)methyl 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: (3-bromo-4-methoxy-phenyl)methyl 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid (3-bromo-4-methoxyphenyl)methyl ester IUPAC Name: (3-bromo-4-methoxyphenyl)methyl 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid (3-bromo-4-methoxy-benzyl) ester Formula: C14H12BrNO4 MolecularWeight: 338.15338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)C2=CC=CC=[N+]2[O-])Br

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)C2=CC=CC=[N+]2[O-])Br

InChI

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