ethanedioic acid; 1-[(4-ethylphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine

Systemtic Name: ethanedioic acid; 1-[(4-ethylphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine Openeye Name: 1-[(4-ethylphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine; oxalic acid CAS Name: 1-[(4-ethylphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-[(4-ethylphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(4-ethylbenzyl)-4-(3-nitrobenzyl)piperazine; oxalic acid Formula: C22H27N3O6 MolecularWeight: 429.46628

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2CCN(CC2)CC3=CC(=CC=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CN2CCN(CC2)CC3=CC(=CC=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25N3O2.C2H2O4/c1-2-17-6-8-18(9-7-17)15-21-10-12-22(13-11-21)16-19-4-3-5-20(14-19)23(24)25;3-1(4)2(5)6/h3-9,14H,2,10-13,15-16H2,1H3;(H,3,4)(H,5,6)