[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C12H15N3O5 MolecularWeight: 281.2646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O5/c1-8(2)13-12(18)14-10(16)7-20-11(17)9-3-5-15(19)6-4-9/h3-6,8H,7H2,1-2H3,(H2,13,14,16,18)