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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC=CC=[N+]2[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC=CC=[N+]2[O-]

InChI

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