(2S)-2-[(4-nitro-1H-pyrrol-2-yl)carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: (2S)-2-[(4-nitro-1H-pyrrol-2-yl)carbonylamino]-3-oxidanyl-propanoate Openeye Name: (2S)-3-hydroxy-2-[(4-nitro-1H-pyrrole-2-carbonyl)amino]propanoate CAS Name: (2S)-3-hydroxy-2-[[(4-nitro-1H-pyrrol-2-yl)-oxomethyl]amino]propanoate IUPAC Name: (2S)-3-hydroxy-2-[(4-nitro-1H-pyrrole-2-carbonyl)amino]propanoate Traditional Name: (2S)-3-hydroxy-2-[(4-nitro-1H-pyrrole-2-carbonyl)amino]propionate Formula: C8H8N3O6- MolecularWeight: 242.16562

Click to see the large picture

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/c12-3-6(8(14)15)10-7(13)5-1-4(2-9-5)11(16)17/h1-2,6,9,12H,3H2,(H,10,13)(H,14,15)/p-1/t6-/m0/s1