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

Systemtic Name: [2-oxidanylidene-2-(2-phenoxyethylamino)ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-oxo-2-(2-phenoxyethylamino)ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-oxo-2-(2-phenoxyethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenoxyethylamino)ethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-keto-2-(2-phenoxyethylamino)ethyl] ester Formula: C16H16N2O5 MolecularWeight: 316.30864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O5/c19-15(17-9-11-22-13-6-2-1-3-7-13)12-23-16(20)14-8-4-5-10-18(14)21/h1-8,10H,9,11-12H2,(H,17,19)