(4-nitrophenyl) 4-[bis(1,3-benzodioxol-5-yl)-oxidanyl-methyl]piperidine-1-carboxylate

Systemtic Name: (4-nitrophenyl) 4-[bis(1,3-benzodioxol-5-yl)-oxidanyl-methyl]piperidine-1-carboxylate Openeye Name: (4-nitrophenyl) 4-[bis(1,3-benzodioxol-5-yl)-hydroxy-methyl]piperidine-1-carboxylate CAS Name: 4-[bis(1,3-benzodioxol-5-yl)-hydroxymethyl]-1-piperidinecarboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 4-[bis(1,3-benzodioxol-5-yl)-hydroxymethyl]piperidine-1-carboxylate Traditional Name: 4-[bis(1,3-benzodioxol-5-yl)-hydroxy-methyl]piperidine-1-carboxylic acid (4-nitrophenyl) ester Formula: C27H24N2O9 MolecularWeight: 520.48746

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(C2=CC3=C(C=C2)OCO3)(C4=CC5=C(C=C4)OCO5)O)C(=O)OC6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(C2=CC3=C(C=C2)OCO3)(C4=CC5=C(C=C4)OCO5)O)C(=O)OC6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C27H24N2O9/c30-26(38-21-5-3-20(4-6-21)29(32)33)28-11-9-17(10-12-28)27(31,18-1-7-22-24(13-18)36-15-34-22)19-2-8-23-25(14-19)37-16-35-23/h1-8,13-14,17,31H,9-12,15-16H2