2-(4-bromanylphenoxy)ethyl 1-oxidanidylpyridin-1-ium-3-carboxylate

Systemtic Name: 2-(4-bromanylphenoxy)ethyl 1-oxidanidylpyridin-1-ium-3-carboxylate Openeye Name: 2-(4-bromophenoxy)ethyl 1-oxidopyridin-1-ium-3-carboxylate CAS Name: 1-oxido-3-pyridin-1-iumcarboxylic acid 2-(4-bromophenoxy)ethyl ester IUPAC Name: 2-(4-bromophenoxy)ethyl 1-oxidopyridin-1-ium-3-carboxylate Traditional Name: 1-oxidopyridin-1-ium-3-carboxylic acid 2-(4-bromophenoxy)ethyl ester Formula: C14H12BrNO4 MolecularWeight: 338.15338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)[O-])C(=O)OCCOC2=CC=C(C=C2)Br

Isomeric SMILES

C1=CC(=C[N+](=C1)[O-])C(=O)OCCOC2=CC=C(C=C2)Br

InChI

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