5-fluoranyl-2-phenethyl-isoindole-1,3-dione

Systemtic Name: 5-fluoranyl-2-phenethyl-isoindole-1,3-dione Openeye Name: 5-fluoro-2-phenethyl-isoindoline-1,3-dione CAS Name: 5-fluoro-2-phenethylisoindole-1,3-dione IUPAC Name: 5-fluoro-2-phenethylisoindole-1,3-dione Traditional Name: 5-fluoro-2-phenethyl-isoindoline-1,3-quinone Formula: C16H12FNO2 MolecularWeight: 269.270383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=C(C2=O)C=C(C=C3)F

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=C(C2=O)C=C(C=C3)F

InChI

InChI=1S/C16H12FNO2/c17-12-6-7-13-14(10-12)16(20)18(15(13)19)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2