ethanedioic acid; 1-(furan-2-ylmethyl)-4-[(2-nitrophenyl)methyl]piperazine

Systemtic Name: ethanedioic acid; 1-(furan-2-ylmethyl)-4-[(2-nitrophenyl)methyl]piperazine Openeye Name: 1-(2-furylmethyl)-4-[(2-nitrophenyl)methyl]piperazine; oxalic acid CAS Name: 1-(2-furanylmethyl)-4-[(2-nitrophenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-(furan-2-ylmethyl)-4-[(2-nitrophenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(2-furfuryl)-4-(2-nitrobenzyl)piperazine; oxalic acid Formula: C18H21N3O7 MolecularWeight: 391.37524

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2[N+](=O)[O-])CC3=CC=CO3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2[N+](=O)[O-])CC3=CC=CO3.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H19N3O3.C2H2O4/c20-19(21)16-6-2-1-4-14(16)12-17-7-9-18(10-8-17)13-15-5-3-11-22-15;3-1(4)2(5)6/h1-6,11H,7-10,12-13H2;(H,3,4)(H,5,6)