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

Systemtic Name: sodium 3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: sodium 3-(5-nitro-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: sodium 3-(5-nitro-1,3-dioxo-2-isoindolyl)propanoate IUPAC Name: sodium 3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: sodium 3-(1,3-diketo-5-nitro-isoindolin-2-yl)propionate Formula: C11H7N2NaO6 MolecularWeight: 286.17285

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)CCC(=O)[O-].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C11H8N2O6.Na/c14-9(15)3-4-12-10(16)7-2-1-6(13(18)19)5-8(7)11(12)17;/h1-2,5H,3-4H2,(H,14,15);/q;+1/p-1