2-(4-bromanylphenoxy)ethyl 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: 2-(4-bromanylphenoxy)ethyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: 2-(4-bromophenoxy)ethyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid 2-(4-bromophenoxy)ethyl ester IUPAC Name: 2-(4-bromophenoxy)ethyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid 2-(4-bromophenoxy)ethyl ester Formula: C14H12BrNO4 MolecularWeight: 338.15338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCCOC(=O)C2=CC=[N+](C=C2)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1OCCOC(=O)C2=CC=[N+](C=C2)[O-])Br

InChI

InChI=1S/C14H12BrNO4/c15-12-1-3-13(4-2-12)19-9-10-20-14(17)11-5-7-16(18)8-6-11/h1-8H,9-10H2