3-[nitro-(4-nitrophenyl)sulfonyl-amino]propanoic acid

Systemtic Name: 3-[nitro-(4-nitrophenyl)sulfonyl-amino]propanoic acid Openeye Name: 3-[nitro-(4-nitrophenyl)sulfonyl-amino]propanoic acid CAS Name: 3-[nitro-(4-nitrophenyl)sulfonylamino]propanoic acid IUPAC Name: 3-[nitro-(4-nitrophenyl)sulfonylamino]propanoic acid Traditional Name: 3-[nitro(nosyl)amino]propionic acid Formula: C9H9N3O8S MolecularWeight: 319.24806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)N(CCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)N(CCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C9H9N3O8S/c13-9(14)5-6-10(12(17)18)21(19,20)8-3-1-7(2-4-8)11(15)16/h1-4H,5-6H2,(H,13,14)