ethanedioic acid; 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine

Systemtic Name: ethanedioic acid; 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine; oxalic acid CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(3-ethoxy-4-methoxy-benzyl)-4-(4-nitrobenzyl)piperazine; oxalic acid Formula: C23H29N3O8 MolecularWeight: 475.49166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CCN(CC2)CC3=CC=C(C=C3)[N+](=O)[O-])OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CCN(CC2)CC3=CC=C(C=C3)[N+](=O)[O-])OC.C(=O)(C(=O)O)O

InChI

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