(2S)-2-[(3-nitro-4-oxidanidyl-phenyl)sulfonylamino]propanoate

Systemtic Name: (2S)-2-[(3-nitro-4-oxidanidyl-phenyl)sulfonylamino]propanoate Openeye Name: (2S)-2-[(3-nitro-4-oxido-phenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(3-nitro-4-oxidophenyl)sulfonylamino]propanoate IUPAC Name: (2S)-2-[(3-nitro-4-oxidophenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(3-nitro-4-oxido-phenyl)sulfonylamino]propionate Formula: C9H8N2O7S-2 MolecularWeight: 288.23402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])NS(=O)(=O)C1=CC(=C(C=C1)[O-])[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)[O-])NS(=O)(=O)C1=CC(=C(C=C1)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H10N2O7S/c1-5(9(13)14)10-19(17,18)6-2-3-8(12)7(4-6)11(15)16/h2-5,10,12H,1H3,(H,13,14)/p-2/t5-/m0/s1