2-(4-methylpiperazin-1-yl)-1-[3-nitro-4,5-bis(oxidanyl)phenyl]ethanone dihydrochloride

Systemtic Name: 2-(4-methylpiperazin-1-yl)-1-[3-nitro-4,5-bis(oxidanyl)phenyl]ethanone dihydrochloride Openeye Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-2-(4-methylpiperazin-1-yl)ethanone dihydrochloride CAS Name: 1-(3,4-dihydroxy-5-nitrophenyl)-2-(4-methyl-1-piperazinyl)ethanone dihydrochloride IUPAC Name: 1-(3,4-dihydroxy-5-nitrophenyl)-2-(4-methylpiperazin-1-yl)ethanone dihydrochloride Traditional Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-2-(4-methylpiperazino)ethanone dihydrochloride Formula: C13H19Cl2N3O5 MolecularWeight: 368.21306

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-].Cl.Cl

Isomeric SMILES

CN1CCN(CC1)CC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-].Cl.Cl

InChI

InChI=1S/C13H17N3O5.2ClH/c1-14-2-4-15(5-3-14)8-12(18)9-6-10(16(20)21)13(19)11(17)7-9;;/h6-7,17,19H,2-5,8H2,1H3;2*1H