1-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone trihydrochloride

Systemtic Name: 1-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone trihydrochloride Openeye Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-2-[4-(2-pyridyl)piperazin-1-yl]ethanone trihydrochloride CAS Name: 1-(3,4-dihydroxy-5-nitrophenyl)-2-[4-(2-pyridinyl)-1-piperazinyl]ethanone trihydrochloride IUPAC Name: 1-(3,4-dihydroxy-5-nitrophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone trihydrochloride Traditional Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-2-[4-(2-pyridyl)piperazino]ethanone trihydrochloride Formula: C17H21Cl3N4O5 MolecularWeight: 467.73144

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-])C3=CC=CC=N3.Cl.Cl.Cl

Isomeric SMILES

C1CN(CCN1CC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-])C3=CC=CC=N3.Cl.Cl.Cl

InChI

InChI=1S/C17H18N4O5.3ClH/c22-14-10-12(9-13(17(14)24)21(25)26)15(23)11-19-5-7-20(8-6-19)16-3-1-2-4-18-16;;;/h1-4,9-10,22,24H,5-8,11H2;3*1H