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

Systemtic Name: ethyl 2-[[3-(hydroxymethyl)-5-oxidanylidene-2H-1,2,5-oxadiazol-5-ium-4-yl]carbonylamino]ethanoate Openeye Name: ethyl 2-[[3-(hydroxymethyl)-5-oxo-2H-1,2,5-oxadiazol-5-ium-4-carbonyl]amino]acetate CAS Name: 2-[[[3-(hydroxymethyl)-5-oxo-2H-1,2,5-oxadiazol-5-ium-4-yl]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[3-(hydroxymethyl)-5-oxo-2H-1,2,5-oxadiazol-5-ium-4-carbonyl]amino]acetate Traditional Name: 2-[(5-keto-3-methylol-2H-furazan-5-ium-4-carbonyl)amino]acetic acid ethyl ester Formula: C8H12N3O6+ MolecularWeight: 246.19738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11N3O6/c1-2-16-6(13)3-9-8(14)7-5(4-12)10-17-11(7)15/h12H,2-4H2,1H3,(H-,9,10,14,15)/p+1