1-[4-(4-nitrophenyl)piperazin-1-yl]-2-(2,3,5-trimethylphenoxy)ethanone

Systemtic Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-2-(2,3,5-trimethylphenoxy)ethanone Openeye Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-2-(2,3,5-trimethylphenoxy)ethanone CAS Name: 1-[4-(4-nitrophenyl)-1-piperazinyl]-2-(2,3,5-trimethylphenoxy)ethanone IUPAC Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-2-(2,3,5-trimethylphenoxy)ethanone Traditional Name: 1-[4-(4-nitrophenyl)piperazino]-2-(2,3,5-trimethylphenoxy)ethanone Formula: C21H25N3O4 MolecularWeight: 383.4409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C21H25N3O4/c1-15-12-16(2)17(3)20(13-15)28-14-21(25)23-10-8-22(9-11-23)18-4-6-19(7-5-18)24(26)27/h4-7,12-13H,8-11,14H2,1-3H3