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

Systemtic Name: (7-oxidanylidenecyclohepta-1,3,5-trien-1-yl) 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: (7-oxocyclohepta-1,3,5-trien-1-yl) 4-(1,3-dioxoisoindolin-2-yl)butanoate CAS Name: 4-(1,3-dioxo-2-isoindolyl)butanoic acid (7-oxo-1-cyclohepta-1,3,5-trienyl) ester IUPAC Name: (7-oxocyclohepta-1,3,5-trien-1-yl) 4-(1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 4-phthalimidobutyric acid (7-ketocyclohepta-1,3,5-trien-1-yl) ester Formula: C19H15NO5 MolecularWeight: 337.3261

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=O)C=C1)OC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1=CC=C(C(=O)C=C1)OC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C19H15NO5/c21-15-9-2-1-3-10-16(15)25-17(22)11-6-12-20-18(23)13-7-4-5-8-14(13)19(20)24/h1-5,7-10H,6,11-12H2