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

Systemtic Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2-methyl-5-nitro-phenoxy)ethanone Openeye Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2-methyl-5-nitro-phenoxy)ethanone CAS Name: 1-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-(2-methyl-5-nitrophenoxy)ethanone IUPAC Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2-methyl-5-nitrophenoxy)ethanone Traditional Name: 1-[4-(4-chlorobenzyl)piperazino]-2-(2-methyl-5-nitro-phenoxy)ethanone Formula: C20H22ClN3O4 MolecularWeight: 403.85938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H22ClN3O4/c1-15-2-7-18(24(26)27)12-19(15)28-14-20(25)23-10-8-22(9-11-23)13-16-3-5-17(21)6-4-16/h2-7,12H,8-11,13-14H2,1H3