ethyl 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-4-carboxylate CAS Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-4-carboxylate Traditional Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]isonipecotic acid ethyl ester Formula: C17H22N2O6 MolecularWeight: 350.36638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C17H22N2O6/c1-2-24-17(20)12-3-5-18(6-4-12)9-13-7-15(19(21)22)8-14-10-23-11-25-16(13)14/h7-8,12H,2-6,9-11H2,1H3