1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-methyl-2,6-dinitro-phenoxy)ethanone

Systemtic Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-methyl-2,6-dinitro-phenoxy)ethanone Openeye Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-methyl-2,6-dinitro-phenoxy)ethanone CAS Name: 1-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-(4-methyl-2,6-dinitrophenoxy)ethanone IUPAC Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-methyl-2,6-dinitrophenoxy)ethanone Traditional Name: 1-[4-(4-chlorobenzyl)piperazino]-2-(4-methyl-2,6-dinitro-phenoxy)ethanone Formula: C20H21ClN4O6 MolecularWeight: 448.85694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O6/c1-14-10-17(24(27)28)20(18(11-14)25(29)30)31-13-19(26)23-8-6-22(7-9-23)12-15-2-4-16(21)5-3-15/h2-5,10-11H,6-9,12-13H2,1H3