[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C12H13N3O5 MolecularWeight: 279.24872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O5/c1-2-5-13-12(18)14-10(16)8-20-11(17)9-3-6-15(19)7-4-9/h2-4,6-7H,1,5,8H2,(H2,13,14,16,18)