2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid 2-phthalimidoethyl ester Formula: C19H14N2O8 MolecularWeight: 398.32306

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O

InChI

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