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

Systemtic Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-ethanoyl-2-nitro-phenoxy)ethanone Openeye Name: 2-(4-acetyl-2-nitro-phenoxy)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone CAS Name: 2-(4-acetyl-2-nitrophenoxy)-1-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-acetyl-2-nitrophenoxy)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone Traditional Name: 2-(4-acetyl-2-nitro-phenoxy)-1-[4-(4-chlorobenzyl)piperazino]ethanone Formula: C21H22ClN3O5 MolecularWeight: 431.86948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O5/c1-15(26)17-4-7-20(19(12-17)25(28)29)30-14-21(27)24-10-8-23(9-11-24)13-16-2-5-18(22)6-3-16/h2-7,12H,8-11,13-14H2,1H3