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

Systemtic Name: (2-bromanyl-4,5-dimethoxy-phenyl)methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: (2-bromo-4,5-dimethoxy-phenyl)methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid (2-bromo-4,5-dimethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-dimethoxyphenyl)methyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid (2-bromo-4,5-dimethoxy-benzyl) ester Formula: C15H14BrNO5 MolecularWeight: 368.17936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14BrNO5/c1-20-13-7-11(12(16)8-14(13)21-2)9-22-15(18)10-3-5-17(19)6-4-10/h3-8H,9H2,1-2H3