methyl 4-(2-azanylethyl)-5-oxidanylidene-2H-1,2,5-oxadiazol-5-ium-3-carboxylate

Systemtic Name: methyl 4-(2-azanylethyl)-5-oxidanylidene-2H-1,2,5-oxadiazol-5-ium-3-carboxylate Openeye Name: methyl 4-(2-aminoethyl)-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-carboxylate CAS Name: 4-(2-aminoethyl)-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(2-aminoethyl)-5-oxo-2H-1,2,5-oxadiazol-5-ium-3-carboxylate Traditional Name: 4-(2-aminoethyl)-5-keto-2H-furazan-5-ium-3-carboxylic acid methyl ester Formula: C6H10N3O4+ MolecularWeight: 188.1613

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C([N+](=O)ON1)CCN

Isomeric SMILES

COC(=O)C1=C([N+](=O)ON1)CCN

InChI

InChI=1S/C6H10N3O4/c1-12-6(10)5-4(2-3-7)9(11)13-8-5/h8H,2-3,7H2,1H3/q+1