1-(1,3-benzodioxol-5-ylmethyl)-4-[(4,5-dimethoxy-2-nitro-phenyl)methyl]piperazine; ethanedioic acid

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4,5-dimethoxy-2-nitro-phenyl)methyl]piperazine; ethanedioic acid Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4,5-dimethoxy-2-nitro-phenyl)methyl]piperazine; oxalic acid CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(4,5-dimethoxy-2-nitro-benzyl)-4-piperonyl-piperazine; oxalic acid Formula: C23H27N3O10 MolecularWeight: 505.47458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)[N+](=O)[O-])OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C(=C1)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)[N+](=O)[O-])OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H25N3O6.C2H2O4/c1-27-19-10-16(17(24(25)26)11-20(19)28-2)13-23-7-5-22(6-8-23)12-15-3-4-18-21(9-15)30-14-29-18;3-1(4)2(5)6/h3-4,9-11H,5-8,12-14H2,1-2H3;(H,3,4)(H,5,6)