2-(4-chloranyl-2,6-dimethyl-phenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-chloranyl-2,6-dimethyl-phenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-chloro-2,6-dimethyl-phenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-(4-chloro-2,6-dimethylphenoxy)-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-chloro-2,6-dimethylphenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(4-chloro-2,6-dimethyl-phenoxy)-1-[4-(4-nitrophenyl)piperazino]ethanone Formula: C20H22ClN3O4 MolecularWeight: 403.85938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O4/c1-14-11-16(21)12-15(2)20(14)28-13-19(25)23-9-7-22(8-10-23)17-3-5-18(6-4-17)24(26)27/h3-6,11-12H,7-10,13H2,1-2H3