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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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