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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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