6-chloranyl-7-[[4-(trifluoromethyloxy)phenyl]amino]isoquinoline-5,8-dione

Systemtic Name: 6-chloranyl-7-[[4-(trifluoromethyloxy)phenyl]amino]isoquinoline-5,8-dione Openeye Name: 6-chloro-7-[4-(trifluoromethoxy)anilino]isoquinoline-5,8-dione CAS Name: 6-chloro-7-[4-(trifluoromethoxy)anilino]isoquinoline-5,8-dione IUPAC Name: 6-chloro-7-[4-(trifluoromethoxy)anilino]isoquinoline-5,8-dione Traditional Name: 6-chloro-7-[4-(trifluoromethoxy)anilino]isoquinoline-5,8-quinone Formula: C16H8ClF3N2O3 MolecularWeight: 368.69453

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=C(C(=O)C3=C(C2=O)C=NC=C3)Cl)OC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1NC2=C(C(=O)C3=C(C2=O)C=NC=C3)Cl)OC(F)(F)F

InChI

InChI=1S/C16H8ClF3N2O3/c17-12-13(15(24)11-7-21-6-5-10(11)14(12)23)22-8-1-3-9(4-2-8)25-16(18,19)20/h1-7,22H