2-[4-[1-(4-nitrophenoxy)-2-oxidanyl-propyl]piperazin-1-yl]benzoic acid dihydrochloride

Systemtic Name: 2-[4-[1-(4-nitrophenoxy)-2-oxidanyl-propyl]piperazin-1-yl]benzoic acid dihydrochloride Openeye Name: 2-[4-[2-hydroxy-1-(4-nitrophenoxy)propyl]piperazin-1-yl]benzoic acid dihydrochloride CAS Name: 2-[4-[2-hydroxy-1-(4-nitrophenoxy)propyl]-1-piperazinyl]benzoic acid dihydrochloride IUPAC Name: 2-[4-[2-hydroxy-1-(4-nitrophenoxy)propyl]piperazin-1-yl]benzoic acid dihydrochloride Traditional Name: 2-[4-[2-hydroxy-1-(4-nitrophenoxy)propyl]piperazino]benzoic acid dihydrochloride Formula: C20H25Cl2N3O6 MolecularWeight: 474.335

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(N1CCN(CC1)C2=CC=CC=C2C(=O)O)OC3=CC=C(C=C3)[N+](=O)[O-])O.Cl.Cl

Isomeric SMILES

CC(C(N1CCN(CC1)C2=CC=CC=C2C(=O)O)OC3=CC=C(C=C3)[N+](=O)[O-])O.Cl.Cl

InChI

InChI=1S/C20H23N3O6.2ClH/c1-14(24)19(29-16-8-6-15(7-9-16)23(27)28)22-12-10-21(11-13-22)18-5-3-2-4-17(18)20(25)26;;/h2-9,14,19,24H,10-13H2,1H3,(H,25,26);2*1H