2-(hexylcarbamoyloxy)-6-(4-nitrophenoxy)carbonyloxy-piperidine-1-carboxylic acid

Systemtic Name: 2-(hexylcarbamoyloxy)-6-(4-nitrophenoxy)carbonyloxy-piperidine-1-carboxylic acid Openeye Name: 2-(hexylcarbamoyloxy)-6-(4-nitrophenoxy)carbonyloxy-piperidine-1-carboxylic acid CAS Name: 2-[(hexylamino)-oxomethoxy]-6-[(4-nitrophenoxy)-oxomethoxy]-1-piperidinecarboxylic acid IUPAC Name: 2-(hexylcarbamoyloxy)-6-(4-nitrophenoxy)carbonyloxypiperidine-1-carboxylic acid Traditional Name: 2-(hexylcarbamoyloxy)-6-(4-nitrophenoxy)carbonyloxy-piperidine-1-carboxylic acid Formula: C20H27N3O9 MolecularWeight: 453.44308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)OC1CCCC(N1C(=O)O)OC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCNC(=O)OC1CCCC(N1C(=O)O)OC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H27N3O9/c1-2-3-4-5-13-21-18(24)31-16-7-6-8-17(22(16)19(25)26)32-20(27)30-15-11-9-14(10-12-15)23(28)29/h9-12,16-17H,2-8,13H2,1H3,(H,21,24)(H,25,26)