4-bromanyl-2-[[4-[(2-nitrophenyl)methyl]piperazin-1-yl]methyl]phenol; ethanedioic acid

Systemtic Name: 4-bromanyl-2-[[4-[(2-nitrophenyl)methyl]piperazin-1-yl]methyl]phenol; ethanedioic acid Openeye Name: 4-bromo-2-[[4-[(2-nitrophenyl)methyl]piperazin-1-yl]methyl]phenol; oxalic acid CAS Name: 4-bromo-2-[[4-[(2-nitrophenyl)methyl]-1-piperazinyl]methyl]phenol; oxalic acid IUPAC Name: 4-bromo-2-[[4-[(2-nitrophenyl)methyl]piperazin-1-yl]methyl]phenol; oxalic acid Traditional Name: 4-bromo-2-[[4-(2-nitrobenzyl)piperazino]methyl]phenol; oxalic acid Formula: C20H22BrN3O7 MolecularWeight: 496.30858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrN3O3.C2H2O4/c19-16-5-6-18(23)15(11-16)13-21-9-7-20(8-10-21)12-14-3-1-2-4-17(14)22(24)25;3-1(4)2(5)6/h1-6,11,23H,7-10,12-13H2;(H,3,4)(H,5,6)