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

Systemtic Name: [2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-(butylcarbamoylamino)-2-oxo-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-[[butylamino(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(butylcarbamoylamino)-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-(butylcarbamoylamino)-2-keto-ethyl] ester Formula: C13H17N3O5 MolecularWeight: 295.29118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O5/c1-2-3-7-14-13(19)15-11(17)9-21-12(18)10-6-4-5-8-16(10)20/h4-6,8H,2-3,7,9H2,1H3,(H2,14,15,17,19)