1-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]-2-(3,4-dimethylphenoxy)ethanone

Systemtic Name: 1-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]-2-(3,4-dimethylphenoxy)ethanone Openeye Name: 1-[4-(2-chloro-4-nitro-phenyl)piperazin-1-yl]-2-(3,4-dimethylphenoxy)ethanone CAS Name: 1-[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-2-(3,4-dimethylphenoxy)ethanone IUPAC Name: 1-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-2-(3,4-dimethylphenoxy)ethanone Traditional Name: 1-[4-(2-chloro-4-nitro-phenyl)piperazino]-2-(3,4-dimethylphenoxy)ethanone Formula: C20H22ClN3O4 MolecularWeight: 403.85938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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