ethanedioic acid; 1-(furan-2-ylmethyl)-4-[(3-nitrophenyl)methyl]piperazine

Systemtic Name: ethanedioic acid; 1-(furan-2-ylmethyl)-4-[(3-nitrophenyl)methyl]piperazine Openeye Name: 1-(2-furylmethyl)-4-[(3-nitrophenyl)methyl]piperazine; oxalic acid CAS Name: 1-(2-furanylmethyl)-4-[(3-nitrophenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-(furan-2-ylmethyl)-4-[(3-nitrophenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(2-furfuryl)-4-(3-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)15-4-1-3-14(11-15)12-17-6-8-18(9-7-17)13-16-5-2-10-22-16;3-1(4)2(5)6/h1-5,10-11H,6-9,12-13H2;(H,3,4)(H,5,6)