1-[(2,5-dimethoxyphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine; ethanedioic acid

Systemtic Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine; ethanedioic acid Openeye Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine; oxalic acid CAS Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(2,5-dimethoxybenzyl)-4-(3-nitrobenzyl)piperazine; oxalic acid Formula: C22H27N3O8 MolecularWeight: 461.46508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4.C2H2O4/c1-26-19-6-7-20(27-2)17(13-19)15-22-10-8-21(9-11-22)14-16-4-3-5-18(12-16)23(24)25;3-1(4)2(5)6/h3-7,12-13H,8-11,14-15H2,1-2H3;(H,3,4)(H,5,6)