2-(4-chloranyl-3,5-dimethyl-phenoxy)-1-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-chloranyl-3,5-dimethyl-phenoxy)-1-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-1-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]ethanone CAS Name: 2-(4-chloro-3,5-dimethylphenoxy)-1-[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-chloro-3,5-dimethylphenoxy)-1-[4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-1-[4-(4-methoxy-2-nitro-phenyl)piperazino]ethanone Formula: C21H24ClN3O5 MolecularWeight: 433.88536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H24ClN3O5/c1-14-10-17(11-15(2)21(14)22)30-13-20(26)24-8-6-23(7-9-24)18-5-4-16(29-3)12-19(18)25(27)28/h4-5,10-12H,6-9,13H2,1-3H3