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

Systemtic Name: 2-[2,6-bis(oxidanylidene)oxan-3-yl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-(2,6-dioxotetrahydropyran-3-yl)-5-nitro-isoindoline-1,3-dione CAS Name: 2-(2,6-dioxo-3-oxanyl)-5-nitroisoindole-1,3-dione IUPAC Name: 2-(2,6-dioxooxan-3-yl)-5-nitroisoindole-1,3-dione Traditional Name: 2-(2,6-diketotetrahydropyran-3-yl)-5-nitro-isoindoline-1,3-quinone Formula: C13H8N2O7 MolecularWeight: 304.21182

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)OC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC(=O)OC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H8N2O7/c16-10-4-3-9(13(19)22-10)14-11(17)7-2-1-6(15(20)21)5-8(7)12(14)18/h1-2,5,9H,3-4H2