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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(1,3-dioxoisoindolin-2-yl)benzoate CAS Name: 3-(1,3-dioxo-2-isoindolyl)benzoic 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)benzoate Traditional Name: 3-phthalimidobenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C24H16N2O8 MolecularWeight: 460.39244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC(=CC=C3)N4C(=O)C5=CC=CC=C5C4=O)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC(=CC=C3)N4C(=O)C5=CC=CC=C5C4=O)[N+](=O)[O-]

InChI

InChI=1S/C24H16N2O8/c27-22-19-6-1-2-7-20(19)23(28)25(22)17-5-3-4-14(8-17)24(29)33-12-16-10-18(26(30)31)9-15-11-32-13-34-21(15)16/h1-10H,11-13H2