(5-nitro-1,2,3-benzoxadiazol-4-yl) 2-iodanylethanoate

Systemtic Name: (5-nitro-1,2,3-benzoxadiazol-4-yl) 2-iodanylethanoate Openeye Name: (5-nitro-1,2,3-benzoxadiazol-4-yl) 2-iodoacetate CAS Name: 2-iodoacetic acid (5-nitro-1,2,3-benzoxadiazol-4-yl) ester IUPAC Name: (5-nitro-1,2,3-benzoxadiazol-4-yl) 2-iodoacetate Traditional Name: 2-iodoacetic acid (5-nitro-1,2,3-benzoxadiazol-4-yl) ester Formula: C8H4IN3O5 MolecularWeight: 349.03893

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1[N+](=O)[O-])OC(=O)CI)N=NO2

Isomeric SMILES

C1=CC2=C(C(=C1[N+](=O)[O-])OC(=O)CI)N=NO2

InChI

InChI=1S/C8H4IN3O5/c9-3-6(13)16-8-4(12(14)15)1-2-5-7(8)10-11-17-5/h1-2H,3H2