methyl 4-(hydroxymethyl)-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-carboxylate

Systemtic Name: methyl 4-(hydroxymethyl)-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-carboxylate Openeye Name: methyl 4-(hydroxymethyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-carboxylate CAS Name: 4-(hydroxymethyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(hydroxymethyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-carboxylate Traditional Name: 4-methylol-5-oxido-furazan-5-ium-3-carboxylic acid methyl ester Formula: C5H6N2O5 MolecularWeight: 174.11154

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NO[N+](=C1CO)[O-]

Isomeric SMILES

COC(=O)C1=NO[N+](=C1CO)[O-]

InChI

InChI=1S/C5H6N2O5/c1-11-5(9)4-3(2-8)7(10)12-6-4/h8H,2H2,1H3