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

Systemtic Name: 2-(4-ethylpiperazin-1-yl)-1-[3-nitro-4,5-bis(oxidanyl)phenyl]ethanone dihydrochloride Openeye Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-2-(4-ethylpiperazin-1-yl)ethanone dihydrochloride CAS Name: 1-(3,4-dihydroxy-5-nitrophenyl)-2-(4-ethyl-1-piperazinyl)ethanone dihydrochloride IUPAC Name: 1-(3,4-dihydroxy-5-nitrophenyl)-2-(4-ethylpiperazin-1-yl)ethanone dihydrochloride Traditional Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-2-(4-ethylpiperazino)ethanone dihydrochloride Formula: C14H21Cl2N3O5 MolecularWeight: 382.23964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O5.2ClH/c1-2-15-3-5-16(6-4-15)9-13(19)10-7-11(17(21)22)14(20)12(18)8-10;;/h7-8,18,20H,2-6,9H2,1H3;2*1H