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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1=CC=CC=[N+]1[O-]

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)C1=CC=CC=[N+]1[O-]

InChI

InChI=1S/C13H18N2O4/c1-10(2)6-7-14-12(16)9-19-13(17)11-5-3-4-8-15(11)18/h3-5,8,10H,6-7,9H2,1-2H3,(H,14,16)