1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-methyl-2-nitro-phenoxy)ethanone

Systemtic Name: 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-methyl-2-nitro-phenoxy)ethanone Openeye Name: 1-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-(4-methyl-2-nitro-phenoxy)ethanone CAS Name: 1-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-(4-methyl-2-nitrophenoxy)ethanone IUPAC Name: 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-methyl-2-nitrophenoxy)ethanone Traditional Name: 1-[(3R,5R)-3,5-dimethylpiperidino]-2-(4-methyl-2-nitro-phenoxy)ethanone Formula: C16H22N2O4 MolecularWeight: 306.35688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)COC2=C(C=C(C=C2)C)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C(=O)COC2=C(C=C(C=C2)C)[N+](=O)[O-])C

InChI

InChI=1S/C16H22N2O4/c1-11-4-5-15(14(7-11)18(20)21)22-10-16(19)17-8-12(2)6-13(3)9-17/h4-5,7,12-13H,6,8-10H2,1-3H3/t12-,13-/m1/s1