1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine; ethanedioic acid

Systemtic Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine; ethanedioic acid Openeye Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine; oxalic acid CAS Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(4,5-dimethoxy-2-nitro-benzyl)-4-m-anisyl-piperazine; oxalic acid Formula: C23H29N3O9 MolecularWeight: 491.49106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5.C2H2O4/c1-27-18-6-4-5-16(11-18)14-22-7-9-23(10-8-22)15-17-12-20(28-2)21(29-3)13-19(17)24(25)26;3-1(4)2(5)6/h4-6,11-13H,7-10,14-15H2,1-3H3;(H,3,4)(H,5,6)