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

Systemtic Name: 1-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-(4-phenylpiperazin-1-yl)ethanone dihydrochloride Openeye Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-2-(4-phenylpiperazin-1-yl)ethanone dihydrochloride CAS Name: 1-(3,4-dihydroxy-5-nitrophenyl)-2-(4-phenyl-1-piperazinyl)ethanone dihydrochloride IUPAC Name: 1-(3,4-dihydroxy-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)ethanone dihydrochloride Traditional Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-2-(4-phenylpiperazino)ethanone dihydrochloride Formula: C18H21Cl2N3O5 MolecularWeight: 430.28244

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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=C3.Cl.Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O5.2ClH/c22-16-11-13(10-15(18(16)24)21(25)26)17(23)12-19-6-8-20(9-7-19)14-4-2-1-3-5-14;;/h1-5,10-11,22,24H,6-9,12H2;2*1H