methyl 1-oxidanidyl-3-phenylmethoxy-pyridin-1-ium-2-carboxylate

Systemtic Name: methyl 1-oxidanidyl-3-phenylmethoxy-pyridin-1-ium-2-carboxylate Openeye Name: methyl 3-benzyloxy-1-oxido-pyridin-1-ium-2-carboxylate CAS Name: 1-oxido-3-phenylmethoxy-2-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-oxido-3-phenylmethoxypyridin-1-ium-2-carboxylate Traditional Name: 3-benzoxy-1-oxido-pyridin-1-ium-2-carboxylic acid methyl ester Formula: C14H13NO4 MolecularWeight: 259.25732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC=[N+]1[O-])OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=C(C=CC=[N+]1[O-])OCC2=CC=CC=C2

InChI

InChI=1S/C14H13NO4/c1-18-14(16)13-12(8-5-9-15(13)17)19-10-11-6-3-2-4-7-11/h2-9H,10H2,1H3