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

Systemtic Name: 2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]pentanedioate Openeye Name: 2-(5-nitro-1,3-dioxo-isoindolin-2-yl)pentanedioate CAS Name: 2-(5-nitro-1,3-dioxo-2-isoindolyl)pentanedioate IUPAC Name: 2-(5-nitro-1,3-dioxoisoindol-2-yl)pentanedioate Traditional Name: 2-(1,3-diketo-5-nitro-isoindolin-2-yl)glutarate Formula: C13H8N2O8-2 MolecularWeight: 320.21122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)C(CCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)C(CCC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C13H10N2O8/c16-10(17)4-3-9(13(20)21)14-11(18)7-2-1-6(15(22)23)5-8(7)12(14)19/h1-2,5,9H,3-4H2,(H,16,17)(H,20,21)/p-2