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

Systemtic Name: 5-nitro-2-[5-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]pentyl]isoindole-1,3-dione Openeye Name: 5-nitro-2-[5-(5-nitro-1,3-dioxo-isoindolin-2-yl)pentyl]isoindoline-1,3-dione CAS Name: 5-nitro-2-[5-(5-nitro-1,3-dioxo-2-isoindolyl)pentyl]isoindole-1,3-dione IUPAC Name: 5-nitro-2-[5-(5-nitro-1,3-dioxoisoindol-2-yl)pentyl]isoindole-1,3-dione Traditional Name: 2-[5-(1,3-diketo-5-nitro-isoindolin-2-yl)pentyl]-5-nitro-isoindoline-1,3-quinone Formula: C21H16N4O8 MolecularWeight: 452.37374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)CCCCCN3C(=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)CCCCCN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O8/c26-18-14-6-4-12(24(30)31)10-16(14)20(28)22(18)8-2-1-3-9-23-19(27)15-7-5-13(25(32)33)11-17(15)21(23)29/h4-7,10-11H,1-3,8-9H2