2,5-bis(5-nitro-1H-indol-3-yl)-3,6-bis(oxidanyl)cyclohexane-1,4-dione

Systemtic Name: 2,5-bis(5-nitro-1H-indol-3-yl)-3,6-bis(oxidanyl)cyclohexane-1,4-dione Openeye Name: 2,5-dihydroxy-3,6-bis(5-nitro-1H-indol-3-yl)cyclohexane-1,4-dione CAS Name: 2,5-dihydroxy-3,6-bis(5-nitro-1H-indol-3-yl)cyclohexane-1,4-dione IUPAC Name: 2,5-dihydroxy-3,6-bis(5-nitro-1H-indol-3-yl)cyclohexane-1,4-dione Traditional Name: 2,5-dihydroxy-3,6-bis(5-nitro-1H-indol-3-yl)cyclohexane-1,4-quinone Formula: C22H16N4O8 MolecularWeight: 464.38444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=CN2)C3C(C(=O)C(C(C3=O)O)C4=CNC5=C4C=C(C=C5)[N+](=O)[O-])O

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=CN2)C3C(C(=O)C(C(C3=O)O)C4=CNC5=C4C=C(C=C5)[N+](=O)[O-])O

InChI

InChI=1S/C22H16N4O8/c27-19-17(13-7-23-15-3-1-9(25(31)32)5-11(13)15)20(28)22(30)18(21(19)29)14-8-24-16-4-2-10(26(33)34)6-12(14)16/h1-8,17-19,22-24,27,30H