2-[2-(carboxymethylsulfanyl)-6-nitro-benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[2-(carboxymethylsulfanyl)-6-nitro-benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-(carboxymethylsulfanyl)-6-nitro-benzimidazol-1-yl]acetic acid CAS Name: 2-[2-(carboxymethylthio)-6-nitro-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-(carboxymethylsulfanyl)-6-nitrobenzimidazol-1-yl]acetic acid Traditional Name: 2-[2-(carboxymethylthio)-6-nitro-benzimidazol-1-yl]acetic acid Formula: C11H9N3O6S MolecularWeight: 311.27066

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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)