ethyl 2-[[3-(hydroxymethyl)-5-oxidanylidene-2H-1,2,5-oxadiazol-5-ium-4-yl]carbonylamino]propanoate

Systemtic Name: ethyl 2-[[3-(hydroxymethyl)-5-oxidanylidene-2H-1,2,5-oxadiazol-5-ium-4-yl]carbonylamino]propanoate Openeye Name: ethyl 2-[[3-(hydroxymethyl)-5-oxo-2H-1,2,5-oxadiazol-5-ium-4-carbonyl]amino]propanoate CAS Name: 2-[[[3-(hydroxymethyl)-5-oxo-2H-1,2,5-oxadiazol-5-ium-4-yl]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 2-[[3-(hydroxymethyl)-5-oxo-2H-1,2,5-oxadiazol-5-ium-4-carbonyl]amino]propanoate Traditional Name: 2-[(5-keto-3-methylol-2H-furazan-5-ium-4-carbonyl)amino]propionic acid ethyl ester Formula: C9H14N3O6+ MolecularWeight: 260.22396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)NC(=O)C1=C(NO[N+]1=O)CO

Isomeric SMILES

CCOC(=O)C(C)NC(=O)C1=C(NO[N+]1=O)CO

InChI

InChI=1S/C9H13N3O6/c1-3-17-9(15)5(2)10-8(14)7-6(4-13)11-18-12(7)16/h5,13H,3-4H2,1-2H3,(H-,10,11,14,16)/p+1