2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid 2-phthalimidoethyl ester Formula: C19H16N2O8 MolecularWeight: 400.33894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-])OC

InChI

InChI=1S/C19H16N2O8/c1-27-15-9-13(14(21(25)26)10-16(15)28-2)19(24)29-8-7-20-17(22)11-5-3-4-6-12(11)18(20)23/h3-6,9-10H,7-8H2,1-2H3