(7-chloranyl-1,3-benzodioxol-5-yl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C20H19ClN2O6 MolecularWeight: 418.82766

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C20H19ClN2O6/c21-15-9-13(10-18-19(15)29-12-28-18)11-27-20(24)14-5-7-22(8-6-14)16-3-1-2-4-17(16)23(25)26/h1-4,9-10,14H,5-8,11-12H2