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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CN2CCN(CC2)CC3=CC=CC=C3[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)CN2CCN(CC2)CC3=CC=CC=C3[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

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