3-(4-ethylpiperazin-1-yl)-1-[3-nitro-4,5-bis(oxidanyl)phenyl]propan-1-one dihydrochloride

Systemtic Name: 3-(4-ethylpiperazin-1-yl)-1-[3-nitro-4,5-bis(oxidanyl)phenyl]propan-1-one dihydrochloride Openeye Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-3-(4-ethylpiperazin-1-yl)propan-1-one dihydrochloride CAS Name: 1-(3,4-dihydroxy-5-nitrophenyl)-3-(4-ethyl-1-piperazinyl)-1-propanone dihydrochloride IUPAC Name: 1-(3,4-dihydroxy-5-nitrophenyl)-3-(4-ethylpiperazin-1-yl)propan-1-one dihydrochloride Traditional Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-3-(4-ethylpiperazino)propan-1-one dihydrochloride Formula: C15H23Cl2N3O5 MolecularWeight: 396.26622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CCC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-].Cl.Cl

Isomeric SMILES

CCN1CCN(CC1)CCC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-].Cl.Cl

InChI

InChI=1S/C15H21N3O5.2ClH/c1-2-16-5-7-17(8-6-16)4-3-13(19)11-9-12(18(22)23)15(21)14(20)10-11;;/h9-10,20-21H,2-8H2,1H3;2*1H