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

Systemtic Name: 2-(3,4-dimethylphenoxy)-1-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]ethanone Openeye Name: 2-(3,4-dimethylphenoxy)-1-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]ethanone CAS Name: 2-(3,4-dimethylphenoxy)-1-[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3,4-dimethylphenoxy)-1-[4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(3,4-dimethylphenoxy)-1-[4-(4-methoxy-2-nitro-phenyl)piperazino]ethanone Formula: C21H25N3O5 MolecularWeight: 399.4403

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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)OC)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5/c1-15-4-5-18(12-16(15)2)29-14-21(25)23-10-8-22(9-11-23)19-7-6-17(28-3)13-20(19)24(26)27/h4-7,12-13H,8-11,14H2,1-3H3