nitro-[1-(2-oxidanylidenepropyl)-1,2,4-triazol-4-ium-4-yl]azanide chloride

Systemtic Name: nitro-[1-(2-oxidanylidenepropyl)-1,2,4-triazol-4-ium-4-yl]azanide chloride Openeye Name: (1-acetonyl-1,2,4-triazol-4-ium-4-yl)-nitro-azanide chloride CAS Name: nitro-[1-(2-oxopropyl)-1,2,4-triazol-4-ium-4-yl]azanide chloride IUPAC Name: nitro-[1-(2-oxopropyl)-1,2,4-triazol-4-ium-4-yl]azanide chloride Traditional Name: (1-acetonyl-1,2,4-triazol-4-ium-4-yl)-nitro-azanide chloride Formula: C5H7ClN5O3- MolecularWeight: 220.59378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C=[N+](C=N1)[N-][N+](=O)[O-].[Cl-]

Isomeric SMILES

CC(=O)CN1C=[N+](C=N1)[N-][N+](=O)[O-].[Cl-]

InChI

InChI=1S/C5H7N5O3.ClH/c1-5(11)2-8-4-9(3-6-8)7-10(12)13;/h3-4H,2H2,1H3;1H/p-1