O3-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[4-(1,3-dioxoisoindolin-2-yl)butyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[4-(1,3-dioxo-2-isoindolyl)butyl] ester O1-ethyl ester IUPAC Name: 3-O-[4-(1,3-dioxoisoindol-2-yl)butyl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-(4-phthalimidobutyl) ester Formula: C22H20N2O8 MolecularWeight: 440.4028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H20N2O8/c1-2-31-21(27)14-11-15(13-16(12-14)24(29)30)22(28)32-10-6-5-9-23-19(25)17-7-3-4-8-18(17)20(23)26/h3-4,7-8,11-13H,2,5-6,9-10H2,1H3