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

Systemtic Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-[(4-methylphenyl)methyl]piperazine; ethanedioic acid Openeye Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-(p-tolylmethyl)piperazine; oxalic acid CAS Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-[(4-methylphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-[(4-methylphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(4,5-dimethoxy-2-nitro-benzyl)-4-(4-methylbenzyl)piperazine; oxalic acid Formula: C23H29N3O8 MolecularWeight: 475.49166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCN(CC2)CC3=CC(=C(C=C3[N+](=O)[O-])OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCN(CC2)CC3=CC(=C(C=C3[N+](=O)[O-])OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H27N3O4.C2H2O4/c1-16-4-6-17(7-5-16)14-22-8-10-23(11-9-22)15-18-12-20(27-2)21(28-3)13-19(18)24(25)26;3-1(4)2(5)6/h4-7,12-13H,8-11,14-15H2,1-3H3;(H,3,4)(H,5,6)