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

Systemtic Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2-methyl-3-nitro-phenoxy)ethanone Openeye Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2-methyl-3-nitro-phenoxy)ethanone CAS Name: 1-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-(2-methyl-3-nitrophenoxy)ethanone IUPAC Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2-methyl-3-nitrophenoxy)ethanone Traditional Name: 1-[4-(4-chlorobenzyl)piperazino]-2-(2-methyl-3-nitro-phenoxy)ethanone Formula: C20H22ClN3O4 MolecularWeight: 403.85938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

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