1-[3-nitro-4,5-bis(oxidanyl)phenyl]-3-[4-(phenylcarbonyl)piperazin-1-yl]propan-1-one hydrochloride

Systemtic Name: 1-[3-nitro-4,5-bis(oxidanyl)phenyl]-3-[4-(phenylcarbonyl)piperazin-1-yl]propan-1-one hydrochloride Openeye Name: 3-(4-benzoylpiperazin-1-yl)-1-(3,4-dihydroxy-5-nitro-phenyl)propan-1-one hydrochloride CAS Name: 3-(4-benzoyl-1-piperazinyl)-1-(3,4-dihydroxy-5-nitrophenyl)-1-propanone hydrochloride IUPAC Name: 3-(4-benzoylpiperazin-1-yl)-1-(3,4-dihydroxy-5-nitrophenyl)propan-1-one hydrochloride Traditional Name: 3-(4-benzoylpiperazino)-1-(3,4-dihydroxy-5-nitro-phenyl)propan-1-one hydrochloride Formula: C20H22ClN3O6 MolecularWeight: 435.85818

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-])C(=O)C3=CC=CC=C3.Cl

Isomeric SMILES

C1CN(CCN1CCC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-])C(=O)C3=CC=CC=C3.Cl

InChI

InChI=1S/C20H21N3O6.ClH/c24-17(15-12-16(23(28)29)19(26)18(25)13-15)6-7-21-8-10-22(11-9-21)20(27)14-4-2-1-3-5-14;/h1-5,12-13,25-26H,6-11H2;1H