(2S)-3-methyl-2-[(4-nitro-1H-pyrrol-2-yl)carbonylamino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[(4-nitro-1H-pyrrol-2-yl)carbonylamino]butanoic acid Openeye Name: (2S)-3-methyl-2-[(4-nitro-1H-pyrrole-2-carbonyl)amino]butanoic acid CAS Name: (2S)-3-methyl-2-[[(4-nitro-1H-pyrrol-2-yl)-oxomethyl]amino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[(4-nitro-1H-pyrrole-2-carbonyl)amino]butanoic acid Traditional Name: (2S)-3-methyl-2-[(4-nitro-1H-pyrrole-2-carbonyl)amino]butyric acid Formula: C10H13N3O5 MolecularWeight: 255.22732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1=CC(=CN1)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)C1=CC(=CN1)[N+](=O)[O-]

InChI

InChI=1S/C10H13N3O5/c1-5(2)8(10(15)16)12-9(14)7-3-6(4-11-7)13(17)18/h3-5,8,11H,1-2H3,(H,12,14)(H,15,16)/t8-/m0/s1