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

Systemtic Name: 1-[3-nitro-4,5-bis(oxidanyl)phenyl]-3-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-3-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one CAS Name: 1-(3,4-dihydroxy-5-nitrophenyl)-3-[4-(4-nitrophenyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(3,4-dihydroxy-5-nitrophenyl)-3-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one Traditional Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-3-[4-(4-nitrophenyl)piperazino]propan-1-one Formula: C19H20N4O7 MolecularWeight: 416.3847

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O7/c24-17(13-11-16(23(29)30)19(26)18(25)12-13)5-6-20-7-9-21(10-8-20)14-1-3-15(4-2-14)22(27)28/h1-4,11-12,25-26H,5-10H2