[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-(2-furylmethylcarbamoylamino)-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-(2-furfurylcarbamoylamino)-2-keto-ethyl] ester Formula: C14H13N3O6 MolecularWeight: 319.26952

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC(=O)NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-]

Isomeric SMILES

C1=COC(=C1)CNC(=O)NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-]

InChI

InChI=1S/C14H13N3O6/c18-12(16-14(20)15-8-11-2-1-7-22-11)9-23-13(19)10-3-5-17(21)6-4-10/h1-7H,8-9H2,(H2,15,16,18,20)