6-[(2R)-3-(2,2-dimethylpropanoyl)-2-(4-nitrophenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]hexanoic acid

Systemtic Name: 6-[(2R)-3-(2,2-dimethylpropanoyl)-2-(4-nitrophenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]hexanoic acid Openeye Name: 6-[(2R)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]hexanoic acid CAS Name: 6-[(2R)-3-(2,2-dimethyl-1-oxopropyl)-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]hexanoic acid IUPAC Name: 6-[(2R)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]hexanoic acid Traditional Name: 6-[(5R)-3-hydroxy-2-keto-5-(4-nitrophenyl)-4-pivaloyl-3-pyrrolin-1-yl]hexanoic acid Formula: C21H26N2O7 MolecularWeight: 418.44034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)[N+](=O)[O-])CCCCCC(=O)O)O

Isomeric SMILES

CC(C)(C)C(=O)C1=C(C(=O)N([C@@H]1C2=CC=C(C=C2)[N+](=O)[O-])CCCCCC(=O)O)O

InChI

InChI=1S/C21H26N2O7/c1-21(2,3)19(27)16-17(13-8-10-14(11-9-13)23(29)30)22(20(28)18(16)26)12-6-4-5-7-15(24)25/h8-11,17,26H,4-7,12H2,1-3H3,(H,24,25)/t17-/m1/s1