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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-butanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(1,3-dioxoisoindolin-2-yl)-3-methyl-butanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-3-methylbutanoic 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)-3-methylbutanoate Traditional Name: 3-methyl-2-phthalimido-butyric acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H20N2O8 MolecularWeight: 440.4028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)C(C(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H20N2O8/c1-12(2)18(23-20(25)16-5-3-4-6-17(16)21(23)26)22(27)31-10-14-8-15(24(28)29)7-13-9-30-11-32-19(13)14/h3-8,12,18H,9-11H2,1-2H3