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

Systemtic Name: 2-[4-(4-ethanoylphenyl)piperazin-1-yl]-1-[3-nitro-4,5-bis(oxidanyl)phenyl]ethanone Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(3,4-dihydroxy-5-nitro-phenyl)ethanone CAS Name: 2-[4-(4-acetylphenyl)-1-piperazinyl]-1-(3,4-dihydroxy-5-nitrophenyl)ethanone IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(3,4-dihydroxy-5-nitrophenyl)ethanone Traditional Name: 2-[4-(4-acetylphenyl)piperazino]-1-(3,4-dihydroxy-5-nitro-phenyl)ethanone Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC(=O)C3=CC(=C(C(=C3)O)O)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC(=O)C3=CC(=C(C(=C3)O)O)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6/c1-13(24)14-2-4-16(5-3-14)22-8-6-21(7-9-22)12-19(26)15-10-17(23(28)29)20(27)18(25)11-15/h2-5,10-11,25,27H,6-9,12H2,1H3