1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-methyl-2-nitro-phenoxy)ethanone

Systemtic Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-methyl-2-nitro-phenoxy)ethanone Openeye Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-methyl-2-nitro-phenoxy)ethanone CAS Name: 1-[4-(3-chlorophenyl)-1-piperazinyl]-2-(4-methyl-2-nitrophenoxy)ethanone IUPAC Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-methyl-2-nitrophenoxy)ethanone Traditional Name: 1-[4-(3-chlorophenyl)piperazino]-2-(4-methyl-2-nitro-phenoxy)ethanone Formula: C19H20ClN3O4 MolecularWeight: 389.8328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O4/c1-14-5-6-18(17(11-14)23(25)26)27-13-19(24)22-9-7-21(8-10-22)16-4-2-3-15(20)12-16/h2-6,11-12H,7-10,13H2,1H3