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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(1,3-dioxoisoindolin-2-yl)propanoate CAS Name: 3-(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 3-(1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-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:

C1C2=CC(=CC(=C2OCO1)COC(=O)CCN3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CCN3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C20H16N2O8/c23-17(5-6-21-19(24)15-3-1-2-4-16(15)20(21)25)29-10-13-8-14(22(26)27)7-12-9-28-11-30-18(12)13/h1-4,7-8H,5-6,9-11H2