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

Systemtic Name: 3-(4-methylpiperazin-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-methylpiperazin-1-yl)propan-1-one dihydrochloride CAS Name: 1-(3,4-dihydroxy-5-nitrophenyl)-3-(4-methyl-1-piperazinyl)-1-propanone dihydrochloride IUPAC Name: 1-(3,4-dihydroxy-5-nitrophenyl)-3-(4-methylpiperazin-1-yl)propan-1-one dihydrochloride Traditional Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-3-(4-methylpiperazino)propan-1-one dihydrochloride Formula: C14H21Cl2N3O5 MolecularWeight: 382.23964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O5.2ClH/c1-15-4-6-16(7-5-15)3-2-12(18)10-8-11(17(21)22)14(20)13(19)9-10;;/h8-9,19-20H,2-7H2,1H3;2*1H