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

Systemtic Name: 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]ethanone Openeye Name: 1-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]ethanone CAS Name: 1-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]ethanone IUPAC Name: 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]ethanone Traditional Name: 1-[(3R,5R)-3,5-dimethylpiperidino]-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]ethanone Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C22H26N2O5/c1-15-10-16(2)13-23(12-15)22(25)14-29-21-9-6-18(24(26)27)11-20(21)17-4-7-19(28-3)8-5-17/h4-9,11,15-16H,10,12-14H2,1-3H3/t15-,16-/m1/s1