6-[(2S)-3-(2,2-dimethylpropanoyl)-2-(4-nitrophenyl)-4-oxidanidyl-5-oxidanylidene-2H-pyrrol-1-yl]hexanoate

Systemtic Name: 6-[(2S)-3-(2,2-dimethylpropanoyl)-2-(4-nitrophenyl)-4-oxidanidyl-5-oxidanylidene-2H-pyrrol-1-yl]hexanoate Openeye Name: 6-[(2S)-3-(2,2-dimethylpropanoyl)-2-(4-nitrophenyl)-4-oxido-5-oxo-2H-pyrrol-1-yl]hexanoate CAS Name: 6-[(2S)-3-(2,2-dimethyl-1-oxopropyl)-2-(4-nitrophenyl)-4-oxido-5-oxo-2H-pyrrol-1-yl]hexanoate IUPAC Name: 6-[(2S)-3-(2,2-dimethylpropanoyl)-2-(4-nitrophenyl)-4-oxido-5-oxo-2H-pyrrol-1-yl]hexanoate Traditional Name: 6-[(5S)-2-keto-5-(4-nitrophenyl)-3-oxido-4-pivaloyl-3-pyrrolin-1-yl]hexanoate Formula: C21H24N2O7-2 MolecularWeight: 416.42446

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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)/p-2/t17-/m0/s1