(E)-4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-cyano-3-methyl-but-2-enamide

Systemtic Name: (E)-4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-cyano-3-methyl-but-2-enamide Openeye Name: (E)-2-cyano-4-(1,3-dioxoisoindolin-2-yl)-3-methyl-but-2-enamide CAS Name: (E)-2-cyano-4-(1,3-dioxo-2-isoindolyl)-3-methyl-2-butenamide IUPAC Name: (E)-2-cyano-4-(1,3-dioxoisoindol-2-yl)-3-methylbut-2-enamide Traditional Name: (E)-2-cyano-3-methyl-4-phthalimido-but-2-enamide Formula: C14H11N3O3 MolecularWeight: 269.25544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)N)CN1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

C/C(=C(/C#N)\C(=O)N)/CN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C14H11N3O3/c1-8(11(6-15)12(16)18)7-17-13(19)9-4-2-3-5-10(9)14(17)20/h2-5H,7H2,1H3,(H2,16,18)/b11-8+