2-[3,5-bis(trifluoromethyl)phenyl]-4H-isoquinoline-1,3-dione

Systemtic Name: 2-[3,5-bis(trifluoromethyl)phenyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-[3,5-bis(trifluoromethyl)phenyl]-4H-isoquinoline-1,3-dione CAS Name: 2-[3,5-bis(trifluoromethyl)phenyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-[3,5-bis(trifluoromethyl)phenyl]-4H-isoquinoline-1,3-quinone Formula: C17H9F6NO2 MolecularWeight: 373.249279

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N(C1=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N(C1=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C17H9F6NO2/c18-16(19,20)10-6-11(17(21,22)23)8-12(7-10)24-14(25)5-9-3-1-2-4-13(9)15(24)26/h1-4,6-8H,5H2