ditert-butyl (2S,5S)-5-(4-nitrophenyl)carbonyloxy-6-oxidanylidene-piperidine-1,2-dicarboxylate

Systemtic Name: ditert-butyl (2S,5S)-5-(4-nitrophenyl)carbonyloxy-6-oxidanylidene-piperidine-1,2-dicarboxylate Openeye Name: ditert-butyl (2S,5S)-5-(4-nitrobenzoyl)oxy-6-oxo-piperidine-1,2-dicarboxylate CAS Name: (2S,5S)-5-[(4-nitrophenyl)-oxomethoxy]-6-oxopiperidine-1,2-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl (2S,5S)-5-(4-nitrobenzoyl)oxy-6-oxopiperidine-1,2-dicarboxylate Traditional Name: (2S,5S)-6-keto-5-(4-nitrobenzoyl)oxy-piperidine-1,2-dicarboxylic acid ditert-butyl ester Formula: C22H28N2O9 MolecularWeight: 464.46572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCC(C(=O)N1C(=O)OC(C)(C)C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1CC[C@@H](C(=O)N1C(=O)OC(C)(C)C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H28N2O9/c1-21(2,3)32-19(27)15-11-12-16(17(25)23(15)20(28)33-22(4,5)6)31-18(26)13-7-9-14(10-8-13)24(29)30/h7-10,15-16H,11-12H2,1-6H3/t15-,16-/m0/s1