tert-butyl (3S)-3-[(R)-(4-nitrophenyl)-oxidanyl-methyl]-4-oxidanylidene-piperidine-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-[(R)-(4-nitrophenyl)-oxidanyl-methyl]-4-oxidanylidene-piperidine-1-carboxylate Openeye Name: tert-butyl (3S)-3-[(R)-hydroxy-(4-nitrophenyl)methyl]-4-oxo-piperidine-1-carboxylate CAS Name: (3S)-3-[(R)-hydroxy-(4-nitrophenyl)methyl]-4-oxo-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[(R)-hydroxy-(4-nitrophenyl)methyl]-4-oxopiperidine-1-carboxylate Traditional Name: (3S)-3-[(R)-hydroxy-(4-nitrophenyl)methyl]-4-keto-piperidine-1-carboxylic acid tert-butyl ester Formula: C17H22N2O6 MolecularWeight: 350.36638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(=O)C(C1)C(C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(=O)[C@@H](C1)[C@H](C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C17H22N2O6/c1-17(2,3)25-16(22)18-9-8-14(20)13(10-18)15(21)11-4-6-12(7-5-11)19(23)24/h4-7,13,15,21H,8-10H2,1-3H3/t13-,15+/m1/s1