5-nitro-2-[6-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexyl]isoindole-1,3-dione

Systemtic Name: 5-nitro-2-[6-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexyl]isoindole-1,3-dione Openeye Name: 5-nitro-2-[6-(5-nitro-1,3-dioxo-isoindolin-2-yl)hexyl]isoindoline-1,3-dione CAS Name: 5-nitro-2-[6-(5-nitro-1,3-dioxo-2-isoindolyl)hexyl]isoindole-1,3-dione IUPAC Name: 5-nitro-2-[6-(5-nitro-1,3-dioxoisoindol-2-yl)hexyl]isoindole-1,3-dione Traditional Name: 2-[6-(1,3-diketo-5-nitro-isoindolin-2-yl)hexyl]-5-nitro-isoindoline-1,3-quinone Formula: C22H18N4O8 MolecularWeight: 466.40032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)CCCCCCN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)CCCCCCN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O8/c27-19-15-7-5-13(25(31)32)11-17(15)21(29)23(19)9-3-1-2-4-10-24-20(28)16-8-6-14(26(33)34)12-18(16)22(24)30/h5-8,11-12H,1-4,9-10H2