3-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-2-oxidanylidene-propanoic acid

Systemtic Name: 3-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-2-oxidanylidene-propanoic acid Openeye Name: 3-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-2-oxo-propanoic acid CAS Name: 3-[(6-nitro-1H-benzimidazol-2-yl)thio]-2-oxopropanoic acid IUPAC Name: 3-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-2-oxopropanoic acid Traditional Name: 2-keto-3-[(6-nitro-1H-benzimidazol-2-yl)thio]propionic acid Formula: C10H7N3O5S MolecularWeight: 281.24468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H7N3O5S/c14-8(9(15)16)4-19-10-11-6-2-1-5(13(17)18)3-7(6)12-10/h1-3H,4H2,(H,11,12)(H,15,16)