[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C14H19N3O5 MolecularWeight: 309.31776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O5/c1-10(2)3-6-15-14(20)16-12(18)9-22-13(19)11-4-7-17(21)8-5-11/h4-5,7-8,10H,3,6,9H2,1-2H3,(H2,15,16,18,20)