2-(7-nitro-3-oxidanylidene-1H-isoindol-2-yl)pentanedioic acid

Systemtic Name: 2-(7-nitro-3-oxidanylidene-1H-isoindol-2-yl)pentanedioic acid Openeye Name: 2-(4-nitro-1-oxo-isoindolin-2-yl)pentanedioic acid CAS Name: 2-(7-nitro-3-oxo-1H-isoindol-2-yl)pentanedioic acid IUPAC Name: 2-(7-nitro-3-oxo-1H-isoindol-2-yl)pentanedioic acid Traditional Name: 2-(1-keto-4-nitro-isoindolin-2-yl)glutaric acid Formula: C13H12N2O7 MolecularWeight: 308.24358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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