2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-cyanobenzoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-cyanobenzoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid 2-phthalimidoethyl ester Formula: C18H12N2O4 MolecularWeight: 320.29888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H12N2O4/c19-11-12-4-3-5-13(10-12)18(23)24-9-8-20-16(21)14-6-1-2-7-15(14)17(20)22/h1-7,10H,8-9H2