2-[6-nitro-2-(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanyl-benzimidazol-1-yl]ethanoate

Systemtic Name: 2-[6-nitro-2-(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanyl-benzimidazol-1-yl]ethanoate Openeye Name: 2-[6-nitro-2-(2-oxido-2-oxo-ethyl)sulfanyl-benzimidazol-1-yl]acetate CAS Name: 2-[6-nitro-2-[(2-oxido-2-oxoethyl)thio]-1-benzimidazolyl]acetate IUPAC Name: 2-[6-nitro-2-(2-oxido-2-oxoethyl)sulfanylbenzimidazol-1-yl]acetate Traditional Name: 2-[2-[(2-keto-2-oxido-ethyl)thio]-6-nitro-benzimidazol-1-yl]acetate Formula: C11H7N3O6S-2 MolecularWeight: 309.25478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])N(C(=N2)SCC(=O)[O-])CC(=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])N(C(=N2)SCC(=O)[O-])CC(=O)[O-]

InChI

InChI=1S/C11H9N3O6S/c15-9(16)4-13-8-3-6(14(19)20)1-2-7(8)12-11(13)21-5-10(17)18/h1-3H,4-5H2,(H,15,16)(H,17,18)/p-2