(3-bromophenyl)methyl 1-oxidanidylpyridin-1-ium-3-carboxylate

Systemtic Name: (3-bromophenyl)methyl 1-oxidanidylpyridin-1-ium-3-carboxylate Openeye Name: (3-bromophenyl)methyl 1-oxidopyridin-1-ium-3-carboxylate CAS Name: 1-oxido-3-pyridin-1-iumcarboxylic acid (3-bromophenyl)methyl ester IUPAC Name: (3-bromophenyl)methyl 1-oxidopyridin-1-ium-3-carboxylate Traditional Name: 1-oxidopyridin-1-ium-3-carboxylic acid (3-bromobenzyl) ester Formula: C13H10BrNO3 MolecularWeight: 308.1274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10BrNO3/c14-12-5-1-3-10(7-12)9-18-13(16)11-4-2-6-15(17)8-11/h1-8H,9H2