4-nitro-2-[11-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]dodecan-2-yl]isoindole-1,3-dione

Systemtic Name: 4-nitro-2-[11-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]dodecan-2-yl]isoindole-1,3-dione Openeye Name: 2-[1-methyl-10-(4-nitro-1,3-dioxo-isoindolin-2-yl)undecyl]-4-nitro-isoindoline-1,3-dione CAS Name: 4-nitro-2-[11-(4-nitro-1,3-dioxo-2-isoindolyl)dodecan-2-yl]isoindole-1,3-dione IUPAC Name: 4-nitro-2-[11-(4-nitro-1,3-dioxoisoindol-2-yl)dodecan-2-yl]isoindole-1,3-dione Traditional Name: 2-[10-(1,3-diketo-4-nitro-isoindolin-2-yl)-1-methyl-undecyl]-4-nitro-isoindoline-1,3-quinone Formula: C28H30N4O8 MolecularWeight: 550.5598

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCCCC(C)N1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-])N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(CCCCCCCCC(C)N1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-])N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H30N4O8/c1-17(29-25(33)19-13-9-15-21(31(37)38)23(19)27(29)35)11-7-5-3-4-6-8-12-18(2)30-26(34)20-14-10-16-22(32(39)40)24(20)28(30)36/h9-10,13-18H,3-8,11-12H2,1-2H3