[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C13H18N2O4 MolecularWeight: 266.29302

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=CC=CC=[N+]1[O-]

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1=CC=CC=[N+]1[O-]

InChI

InChI=1S/C13H18N2O4/c1-3-10(4-2)14-12(16)9-19-13(17)11-7-5-6-8-15(11)18/h5-8,10H,3-4,9H2,1-2H3,(H,14,16)