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

Systemtic Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine; ethanedioic acid Openeye Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine; oxalic acid CAS Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(2,5-dimethoxybenzyl)-4-(2-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/c1-26-18-7-8-20(27-2)17(13-18)15-22-11-9-21(10-12-22)14-16-5-3-4-6-19(16)23(24)25;3-1(4)2(5)6/h3-8,13H,9-12,14-15H2,1-2H3;(H,3,4)(H,5,6)