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

Systemtic Name: O3-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[4-(1,3-dioxoisoindolin-2-yl)butyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[4-(1,3-dioxo-2-isoindolyl)butyl] ester O1-methyl ester IUPAC Name: 3-O-[4-(1,3-dioxoisoindol-2-yl)butyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-(4-phthalimidobutyl) ester Formula: C21H18N2O8 MolecularWeight: 426.37622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O8/c1-30-20(26)13-10-14(12-15(11-13)23(28)29)21(27)31-9-5-4-8-22-18(24)16-6-2-3-7-17(16)19(22)25/h2-3,6-7,10-12H,4-5,8-9H2,1H3