O1-tert-butyl O3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl] (3R)-piperidine-1,3-dicarboxylate

Systemtic Name: O1-tert-butyl O3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl] (3R)-piperidine-1,3-dicarboxylate Openeye Name: O1-tert-butyl O3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl] (3R)-piperidine-1,3-dicarboxylate CAS Name: (3R)-piperidine-1,3-dicarboxylic acid O1-tert-butyl ester O3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl] ester IUPAC Name: 1-O-tert-butyl 3-O-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl] (3R)-piperidine-1,3-dicarboxylate Traditional Name: (3R)-piperidine-1,3-dicarboxylic acid O1-tert-butyl ester O3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl] ester Formula: C20H26N2O8 MolecularWeight: 422.42904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H](C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C20H26N2O8/c1-20(2,3)30-19(24)21-6-4-5-13(9-21)18(23)28-11-15-8-16(22(25)26)7-14-10-27-12-29-17(14)15/h7-8,13H,4-6,9-12H2,1-3H3/t13-/m1/s1