2-(5-nitro-3-oxidanylidene-1H-isoindol-2-yl)pentanedioic acid

Systemtic Name: 2-(5-nitro-3-oxidanylidene-1H-isoindol-2-yl)pentanedioic acid Openeye Name: 2-(6-nitro-1-oxo-isoindolin-2-yl)pentanedioic acid CAS Name: 2-(5-nitro-3-oxo-1H-isoindol-2-yl)pentanedioic acid IUPAC Name: 2-(5-nitro-3-oxo-1H-isoindol-2-yl)pentanedioic acid Traditional Name: 2-(1-keto-6-nitro-isoindolin-2-yl)glutaric acid Formula: C13H12N2O7 MolecularWeight: 308.24358

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1C(CCC(=O)O)C(=O)O

Isomeric SMILES

C1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1C(CCC(=O)O)C(=O)O

InChI

InChI=1S/C13H12N2O7/c16-11(17)4-3-10(13(19)20)14-6-7-1-2-8(15(21)22)5-9(7)12(14)18/h1-2,5,10H,3-4,6H2,(H,16,17)(H,19,20)