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

Systemtic Name: ethanedioic acid; 1-methyl-4-[(4-nitrophenyl)methyl]piperazine Openeye Name: 1-methyl-4-[(4-nitrophenyl)methyl]piperazine; oxalic acid CAS Name: 1-methyl-4-[(4-nitrophenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-methyl-4-[(4-nitrophenyl)methyl]piperazine; oxalic acid Traditional Name: 1-methyl-4-(4-nitrobenzyl)piperazine; oxalic acid Formula: C14H19N3O6 MolecularWeight: 325.31716

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC=C(C=C2)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN(CC1)CC2=CC=C(C=C2)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C12H17N3O2.C2H2O4/c1-13-6-8-14(9-7-13)10-11-2-4-12(5-3-11)15(16)17;3-1(4)2(5)6/h2-5H,6-10H2,1H3;(H,3,4)(H,5,6)