[4-[1,3-bis(oxidanylidene)-5-(2-phenylethynyl)isoindol-2-yl]phenyl] ethanoate

Systemtic Name: [4-[1,3-bis(oxidanylidene)-5-(2-phenylethynyl)isoindol-2-yl]phenyl] ethanoate Openeye Name: [4-[1,3-dioxo-5-(2-phenylethynyl)isoindolin-2-yl]phenyl] acetate CAS Name: acetic acid [4-[1,3-dioxo-5-(2-phenylethynyl)-2-isoindolyl]phenyl] ester IUPAC Name: [4-[1,3-dioxo-5-(2-phenylethynyl)isoindol-2-yl]phenyl] acetate Traditional Name: acetic acid [4-[1,3-diketo-5-(2-phenylethynyl)isoindolin-2-yl]phenyl] ester Formula: C24H15NO4 MolecularWeight: 381.3802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C#CC4=CC=CC=C4

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C24H15NO4/c1-16(26)29-20-12-10-19(11-13-20)25-23(27)21-14-9-18(15-22(21)24(25)28)8-7-17-5-3-2-4-6-17/h2-6,9-15H,1H3