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

Systemtic Name: (2S,3S)-2-[(5-nitro-1H-pyrrol-2-yl)carbonylamino]-3-oxidanyl-butanoate Openeye Name: (2S,3S)-3-hydroxy-2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]butanoate CAS Name: (2S,3S)-3-hydroxy-2-[[(5-nitro-1H-pyrrol-2-yl)-oxomethyl]amino]butanoate IUPAC Name: (2S,3S)-3-hydroxy-2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]butanoate Traditional Name: (2S,3S)-3-hydroxy-2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]butyrate Formula: C9H10N3O6- MolecularWeight: 256.1922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)[O-])NC(=O)C1=CC=C(N1)[N+](=O)[O-])O

Isomeric SMILES

C[C@@H]([C@@H](C(=O)[O-])NC(=O)C1=CC=C(N1)[N+](=O)[O-])O

InChI

InChI=1S/C9H11N3O6/c1-4(13)7(9(15)16)11-8(14)5-2-3-6(10-5)12(17)18/h2-4,7,10,13H,1H3,(H,11,14)(H,15,16)/p-1/t4-,7-/m0/s1