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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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