[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-(4-nitrophenoxy)ethanoate

Systemtic Name: [2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-(4-nitrophenoxy)ethanoate Openeye Name: [2-[(2S,6R)-2,6-dimethyl-1-piperidyl]-2-oxo-ethyl] 2-(4-nitrophenoxy)acetate CAS Name: 2-(4-nitrophenoxy)acetic acid [2-[(2S,6R)-2,6-dimethyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(4-nitrophenoxy)acetate Traditional Name: 2-(4-nitrophenoxy)acetic acid [2-[(2S,6R)-2,6-dimethylpiperidino]-2-keto-ethyl] ester Formula: C17H22N2O6 MolecularWeight: 350.36638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)COC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1CCC[C@@H](N1C(=O)COC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C17H22N2O6/c1-12-4-3-5-13(2)18(12)16(20)10-25-17(21)11-24-15-8-6-14(7-9-15)19(22)23/h6-9,12-13H,3-5,10-11H2,1-2H3/t12-,13+