1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-(2-methoxy-5-nitro-phenoxy)ethanone

Systemtic Name: 1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-(2-methoxy-5-nitro-phenoxy)ethanone Openeye Name: 1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-(2-methoxy-5-nitro-phenoxy)ethanone CAS Name: 1-[4-[(3-chlorophenyl)methyl]-1-piperazinyl]-2-(2-methoxy-5-nitrophenoxy)ethanone IUPAC Name: 1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-(2-methoxy-5-nitrophenoxy)ethanone Traditional Name: 1-[4-(3-chlorobenzyl)piperazino]-2-(2-methoxy-5-nitro-phenoxy)ethanone Formula: C20H22ClN3O5 MolecularWeight: 419.85878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])OCC(=O)N2CCN(CC2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])OCC(=O)N2CCN(CC2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H22ClN3O5/c1-28-18-6-5-17(24(26)27)12-19(18)29-14-20(25)23-9-7-22(8-10-23)13-15-3-2-4-16(21)11-15/h2-6,11-12H,7-10,13-14H2,1H3