(3-bromophenyl)methyl 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: (3-bromophenyl)methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: (3-bromophenyl)methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid (3-bromophenyl)methyl ester IUPAC Name: (3-bromophenyl)methyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-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=CC=[N+](C=C2)[O-]

Isomeric SMILES

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

InChI

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