5-oxidanylidene-4-propyl-2H-1,2,5-oxadiazol-5-ium-3-carboxylic acid

Systemtic Name: 5-oxidanylidene-4-propyl-2H-1,2,5-oxadiazol-5-ium-3-carboxylic acid Openeye Name: 5-oxo-4-propyl-2H-1,2,5-oxadiazol-5-ium-3-carboxylic acid CAS Name: 5-oxo-4-propyl-2H-1,2,5-oxadiazol-5-ium-3-carboxylic acid IUPAC Name: 5-oxo-4-propyl-2H-1,2,5-oxadiazol-5-ium-3-carboxylic acid Traditional Name: 5-keto-4-propyl-2H-furazan-5-ium-3-carboxylic acid Formula: C6H9N2O4+ MolecularWeight: 173.14666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(NO[N+]1=O)C(=O)O

Isomeric SMILES

CCCC1=C(NO[N+]1=O)C(=O)O

InChI

InChI=1S/C6H8N2O4/c1-2-3-4-5(6(9)10)7-12-8(4)11/h2-3H2,1H3,(H-,7,9,10,11)/p+1