4-[5-azanyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanoate

Systemtic Name: 4-[5-azanyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: 4-(5-amino-1,3-dioxo-isoindolin-2-yl)butanoate CAS Name: 4-(5-amino-1,3-dioxo-2-isoindolyl)butanoate IUPAC Name: 4-(5-amino-1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 4-(5-amino-1,3-diketo-isoindolin-2-yl)butyrate Formula: C12H11N2O4- MolecularWeight: 247.22674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1N)C(=O)N(C2=O)CCCC(=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1N)C(=O)N(C2=O)CCCC(=O)[O-]

InChI

InChI=1S/C12H12N2O4/c13-7-3-4-8-9(6-7)12(18)14(11(8)17)5-1-2-10(15)16/h3-4,6H,1-2,5,13H2,(H,15,16)/p-1