(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(1,3-dioxoisoindolin-2-yl)acetate CAS Name: 2-(1,3-dioxo-2-isoindolyl)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-phthalimidoacetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H14N2O8 MolecularWeight: 398.32306

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CN3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CN3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C19H14N2O8/c22-16(7-20-18(23)14-3-1-2-4-15(14)19(20)24)28-9-12-6-13(21(25)26)5-11-8-27-10-29-17(11)12/h1-6H,7-10H2