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

Systemtic Name: 5-nitro-2-[3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-1-adamantyl]isoindole-1,3-dione Openeye Name: 5-nitro-2-[3-(5-nitro-1,3-dioxo-isoindolin-2-yl)-1-adamantyl]isoindoline-1,3-dione CAS Name: 5-nitro-2-[3-(5-nitro-1,3-dioxo-2-isoindolyl)-1-adamantyl]isoindole-1,3-dione IUPAC Name: 5-nitro-2-[3-(5-nitro-1,3-dioxoisoindol-2-yl)-1-adamantyl]isoindole-1,3-dione Traditional Name: 2-[3-(1,3-diketo-5-nitro-isoindolin-2-yl)-1-adamantyl]-5-nitro-isoindoline-1,3-quinone Formula: C26H20N4O8 MolecularWeight: 516.459

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)N4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-])N6C(=O)C7=C(C6=O)C=C(C=C7)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)N4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-])N6C(=O)C7=C(C6=O)C=C(C=C7)[N+](=O)[O-]

InChI

InChI=1S/C26H20N4O8/c31-21-17-3-1-15(29(35)36)6-19(17)23(33)27(21)25-8-13-5-14(9-25)11-26(10-13,12-25)28-22(32)18-4-2-16(30(37)38)7-20(18)24(28)34/h1-4,6-7,13-14H,5,8-12H2