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

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine; ethanedioic acid Openeye Name: 1-[(3-bromophenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine; oxalic acid CAS Name: 1-[(3-bromophenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-[(3-bromophenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(3-bromobenzyl)-4-(2-nitrobenzyl)piperazine; oxalic acid Formula: C20H22BrN3O6 MolecularWeight: 480.30918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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