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1-(2,5-dimethylphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine
1-(2,5-dimethylphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine
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Descriptors Computed from Structure
Canonical SMILES:
CC1=CC(=C(C=C1)C)N2CCN(CC2)CC3=CC4=C(C=C3[N+](=O)[O-])OCO4
Isomeric SMILES
CC1=CC(=C(C=C1)C)N2CCN(CC2)CC3=CC4=C(C=C3[N+](=O)[O-])OCO4
InChI
InChI=1S/C20H23N3O4/c1-14-3-4-15(2)17(9-14)22-7-5-21(6-8-22)12-16-10-19-20(27-13-26-19)11-18(16)23(24)25/h3-4,9-11H,5-8,12-13H2,1-2H3
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