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

Systemtic Name: ethanedioic acid; 1-[(4-nitrophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine Openeye Name: 1-[(4-nitrophenyl)methyl]-4-(3-pyridylmethyl)piperazine; oxalic acid CAS Name: 1-[(4-nitrophenyl)methyl]-4-(3-pyridinylmethyl)piperazine; oxalic acid IUPAC Name: 1-[(4-nitrophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine; oxalic acid Traditional Name: 1-(4-nitrobenzyl)-4-(3-pyridylmethyl)piperazine; oxalic acid Formula: C19H22N4O6 MolecularWeight: 402.40118

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CN=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CN=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H20N4O2.C2H2O4/c22-21(23)17-5-3-15(4-6-17)13-19-8-10-20(11-9-19)14-16-2-1-7-18-12-16;3-1(4)2(5)6/h1-7,12H,8-11,13-14H2;(H,3,4)(H,5,6)