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

Systemtic Name: (3-methoxycarbonylphenyl)methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: (3-methoxycarbonylphenyl)methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid (3-methoxycarbonylphenyl)methyl ester IUPAC Name: (3-methoxycarbonylphenyl)methyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid (3-carbomethoxybenzyl) ester Formula: C15H13NO5 MolecularWeight: 287.26742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13NO5/c1-20-14(17)13-4-2-3-11(9-13)10-21-15(18)12-5-7-16(19)8-6-12/h2-9H,10H2,1H3