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

Systemtic Name: 2-(4-chloranyl-3-methyl-phenoxy)-1-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-chloro-3-methyl-phenoxy)-1-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]ethanone CAS Name: 2-(4-chloro-3-methylphenoxy)-1-[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-chloro-3-methylphenoxy)-1-[4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(4-chloro-3-methyl-phenoxy)-1-[4-(4-methoxy-2-nitro-phenyl)piperazino]ethanone Formula: C20H22ClN3O5 MolecularWeight: 419.85878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O5/c1-14-11-16(3-5-17(14)21)29-13-20(25)23-9-7-22(8-10-23)18-6-4-15(28-2)12-19(18)24(26)27/h3-6,11-12H,7-10,13H2,1-2H3