(2S)-2-[(5-nitro-1H-pyrrol-2-yl)carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: (2S)-2-[(5-nitro-1H-pyrrol-2-yl)carbonylamino]-3-oxidanyl-propanoate Openeye Name: (2S)-3-hydroxy-2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]propanoate CAS Name: (2S)-3-hydroxy-2-[[(5-nitro-1H-pyrrol-2-yl)-oxomethyl]amino]propanoate IUPAC Name: (2S)-3-hydroxy-2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]propanoate Traditional Name: (2S)-3-hydroxy-2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]propionate Formula: C8H8N3O6- MolecularWeight: 242.16562

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC(=C1)[N+](=O)[O-])C(=O)NC(CO)C(=O)[O-]

Isomeric SMILES

C1=C(NC(=C1)[N+](=O)[O-])C(=O)N[C@@H](CO)C(=O)[O-]

InChI

InChI=1S/C8H9N3O6/c12-3-5(8(14)15)10-7(13)4-1-2-6(9-4)11(16)17/h1-2,5,9,12H,3H2,(H,10,13)(H,14,15)/p-1/t5-/m0/s1