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

Systemtic Name: 1-[3-nitro-4,5-bis(oxidanyl)phenyl]-3-[4-(4-nitrophenyl)carbonylpiperazin-1-yl]propan-1-one Openeye Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-3-[4-(4-nitrobenzoyl)piperazin-1-yl]propan-1-one CAS Name: 1-(3,4-dihydroxy-5-nitrophenyl)-3-[4-[(4-nitrophenyl)-oxomethyl]-1-piperazinyl]-1-propanone IUPAC Name: 1-(3,4-dihydroxy-5-nitrophenyl)-3-[4-(4-nitrobenzoyl)piperazin-1-yl]propan-1-one Traditional Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-3-[4-(4-nitrobenzoyl)piperazino]propan-1-one Formula: C20H20N4O8 MolecularWeight: 444.3948

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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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O8/c25-17(14-11-16(24(31)32)19(27)18(26)12-14)5-6-21-7-9-22(10-8-21)20(28)13-1-3-15(4-2-13)23(29)30/h1-4,11-12,26-27H,5-10H2