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

Systemtic Name: 1-[(4-bromophenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine; ethanedioic acid Openeye Name: 1-[(4-bromophenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine; oxalic acid CAS Name: 1-[(4-bromophenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-[(4-bromophenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(4-bromobenzyl)-4-(2-nitrobenzyl)piperazine; oxalic acid Formula: C20H22BrN3O6 MolecularWeight: 480.30918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrN3O2.C2H2O4/c19-17-7-5-15(6-8-17)13-20-9-11-21(12-10-20)14-16-3-1-2-4-18(16)22(23)24;3-1(4)2(5)6/h1-8H,9-14H2;(H,3,4)(H,5,6)