2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]pentanedioic acid

Systemtic Name: 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]pentanedioic acid Openeye Name: 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)pentanedioic acid CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)pentanedioic acid IUPAC Name: 2-(4-nitro-1,3-dioxoisoindol-2-yl)pentanedioic acid Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)glutaric acid Formula: C13H10N2O8 MolecularWeight: 322.2271

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