ethyl 3-[2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoyloxymethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoyloxymethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetyl]oxymethyl]benzofuran-2-carboxylate CAS Name: 3-[[2-(4-nitro-1,3-dioxo-2-isoindolyl)-1-oxoethoxy]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-nitro-1,3-dioxoisoindol-2-yl)acetyl]oxymethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetyl]oxymethyl]coumarilic acid ethyl ester Formula: C22H16N2O9 MolecularWeight: 452.37044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H16N2O9/c1-2-31-22(28)19-14(12-6-3-4-9-16(12)33-19)11-32-17(25)10-23-20(26)13-7-5-8-15(24(29)30)18(13)21(23)27/h3-9H,2,10-11H2,1H3