1-[(2S)-2-ethylpiperidin-1-yl]-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]ethanone

Systemtic Name: 1-[(2S)-2-ethylpiperidin-1-yl]-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]ethanone Openeye Name: 1-[(2S)-2-ethyl-1-piperidyl]-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]ethanone CAS Name: 1-[(2S)-2-ethyl-1-piperidinyl]-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]ethanone IUPAC Name: 1-[(2S)-2-ethylpiperidin-1-yl]-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]ethanone Traditional Name: 1-[(2S)-2-ethylpiperidino]-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]ethanone Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H26N2O5/c1-3-17-6-4-5-13-23(17)22(25)15-29-21-12-9-18(24(26)27)14-20(21)16-7-10-19(28-2)11-8-16/h7-12,14,17H,3-6,13,15H2,1-2H3/t17-/m0/s1