[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C15H14N2O4 MolecularWeight: 286.28266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O4/c18-14(16-10-12-4-2-1-3-5-12)11-21-15(19)13-6-8-17(20)9-7-13/h1-9H,10-11H2,(H,16,18)