methyl 5-bromanyl-1-oxidanidyl-pyridin-1-ium-3-carboxylate

Systemtic Name: methyl 5-bromanyl-1-oxidanidyl-pyridin-1-ium-3-carboxylate Openeye Name: methyl 5-bromo-1-oxido-pyridin-1-ium-3-carboxylate CAS Name: 5-bromo-1-oxido-3-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 5-bromo-1-oxidopyridin-1-ium-3-carboxylate Traditional Name: 5-bromo-1-oxido-pyridin-1-ium-3-carboxylic acid methyl ester Formula: C7H6BrNO3 MolecularWeight: 232.03144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H6BrNO3/c1-12-7(10)5-2-6(8)4-9(11)3-5/h2-4H,1H3