2-[(4-nitro-1-propan-2-yl-pyrrol-2-yl)carbonylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[(4-nitro-1-propan-2-yl-pyrrol-2-yl)carbonylamino]-3-oxidanyl-butanoic acid Openeye Name: 3-hydroxy-2-[(1-isopropyl-4-nitro-pyrrole-2-carbonyl)amino]butanoic acid CAS Name: 3-hydroxy-2-[[(4-nitro-1-propan-2-yl-2-pyrrolyl)-oxomethyl]amino]butanoic acid IUPAC Name: 3-hydroxy-2-[(4-nitro-1-propan-2-ylpyrrole-2-carbonyl)amino]butanoic acid Traditional Name: 3-hydroxy-2-[(1-isopropyl-4-nitro-pyrrole-2-carbonyl)amino]butyric acid Formula: C12H17N3O6 MolecularWeight: 299.27988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=C1C(=O)NC(C(C)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C=C(C=C1C(=O)NC(C(C)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O6/c1-6(2)14-5-8(15(20)21)4-9(14)11(17)13-10(7(3)16)12(18)19/h4-7,10,16H,1-3H3,(H,13,17)(H,18,19)