11-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]undecanoic acid

Systemtic Name: 11-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]undecanoic acid Openeye Name: 11-(4-nitro-1,3-dioxo-isoindolin-2-yl)undecanoic acid CAS Name: 11-(4-nitro-1,3-dioxo-2-isoindolyl)undecanoic acid IUPAC Name: 11-(4-nitro-1,3-dioxoisoindol-2-yl)undecanoic acid Traditional Name: 11-(1,3-diketo-4-nitro-isoindolin-2-yl)undecanoic acid Formula: C19H24N2O6 MolecularWeight: 376.40366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O6/c22-16(23)12-7-5-3-1-2-4-6-8-13-20-18(24)14-10-9-11-15(21(26)27)17(14)19(20)25/h9-11H,1-8,12-13H2,(H,22,23)