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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(1,3-dioxoisoindolin-2-yl)propanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)propanoic 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)propanoate Traditional Name: 2-phthalimidopropionic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H16N2O8 MolecularWeight: 412.34964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2O8/c1-11(21-18(23)15-4-2-3-5-16(15)19(21)24)20(25)29-9-13-7-14(22(26)27)6-12-8-28-10-30-17(12)13/h2-7,11H,8-10H2,1H3