3-(hydroxymethyl)-N-(2-methylpropyl)-5-oxidanylidene-2H-1,2,5-oxadiazol-5-ium-4-carboxamide

Systemtic Name: 3-(hydroxymethyl)-N-(2-methylpropyl)-5-oxidanylidene-2H-1,2,5-oxadiazol-5-ium-4-carboxamide Openeye Name: 3-(hydroxymethyl)-N-isobutyl-5-oxo-2H-1,2,5-oxadiazol-5-ium-4-carboxamide CAS Name: 3-(hydroxymethyl)-N-(2-methylpropyl)-5-oxo-2H-1,2,5-oxadiazol-5-ium-4-carboxamide IUPAC Name: 3-(hydroxymethyl)-N-(2-methylpropyl)-5-oxo-2H-1,2,5-oxadiazol-5-ium-4-carboxamide Traditional Name: N-isobutyl-5-keto-3-methylol-2H-furazan-5-ium-4-carboxamide Formula: C8H14N3O4+ MolecularWeight: 216.21446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H13N3O4/c1-5(2)3-9-8(13)7-6(4-12)10-15-11(7)14/h5,12H,3-4H2,1-2H3,(H-,9,10,13,14)/p+1