(2S)-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]-1-(4-methylpiperidin-1-yl)propan-1-one

Systemtic Name: (2S)-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]-1-(4-methylpiperidin-1-yl)propan-1-one Openeye Name: (2S)-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]-1-(4-methyl-1-piperidyl)propan-1-one CAS Name: (2S)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-1-(4-methyl-1-piperidinyl)-1-propanone IUPAC Name: (2S)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-1-(4-methylpiperidin-1-yl)propan-1-one Traditional Name: (2S)-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]-1-(4-methylpiperidino)propan-1-one Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C)OC2=C(C=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC

Isomeric SMILES

CC1CCN(CC1)C(=O)[C@H](C)OC2=C(C=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H26N2O5/c1-15-10-12-23(13-11-15)22(25)16(2)29-21-9-6-18(24(26)27)14-20(21)17-4-7-19(28-3)8-5-17/h4-9,14-16H,10-13H2,1-3H3/t16-/m0/s1