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

Systemtic Name: (2S,3S)-2-[(1-methyl-5-nitro-pyrrol-2-yl)carbonylamino]-3-oxidanyl-butanoate Openeye Name: (2S,3S)-3-hydroxy-2-[(1-methyl-5-nitro-pyrrole-2-carbonyl)amino]butanoate CAS Name: (2S,3S)-3-hydroxy-2-[[(1-methyl-5-nitro-2-pyrrolyl)-oxomethyl]amino]butanoate IUPAC Name: (2S,3S)-3-hydroxy-2-[(1-methyl-5-nitropyrrole-2-carbonyl)amino]butanoate Traditional Name: (2S,3S)-3-hydroxy-2-[(1-methyl-5-nitro-pyrrole-2-carbonyl)amino]butyrate Formula: C10H12N3O6- MolecularWeight: 270.21878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)[O-])NC(=O)C1=CC=C(N1C)[N+](=O)[O-])O

Isomeric SMILES

C[C@@H]([C@@H](C(=O)[O-])NC(=O)C1=CC=C(N1C)[N+](=O)[O-])O

InChI

InChI=1S/C10H13N3O6/c1-5(14)8(10(16)17)11-9(15)6-3-4-7(12(6)2)13(18)19/h3-5,8,14H,1-2H3,(H,11,15)(H,16,17)/p-1/t5-,8-/m0/s1