diethyl 2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]pentanedioate

Systemtic Name: diethyl 2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]pentanedioate Openeye Name: diethyl 2-(5-nitro-1,3-dioxo-isoindolin-2-yl)pentanedioate CAS Name: 2-(5-nitro-1,3-dioxo-2-isoindolyl)pentanedioic acid diethyl ester IUPAC Name: diethyl 2-(5-nitro-1,3-dioxoisoindol-2-yl)pentanedioate Traditional Name: 2-(1,3-diketo-5-nitro-isoindolin-2-yl)glutaric acid diethyl ester Formula: C17H18N2O8 MolecularWeight: 378.33342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)N1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCC(C(=O)OCC)N1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O8/c1-3-26-14(20)8-7-13(17(23)27-4-2)18-15(21)11-6-5-10(19(24)25)9-12(11)16(18)22/h5-6,9,13H,3-4,7-8H2,1-2H3