1-[3,5-bis(trifluoromethyl)phenyl]-3,6,6-trimethyl-7H-indazole-4,5-dione

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3,6,6-trimethyl-7H-indazole-4,5-dione Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3,6,6-trimethyl-7H-indazole-4,5-dione CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3,6,6-trimethyl-7H-indazole-4,5-dione IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3,6,6-trimethyl-7H-indazole-4,5-dione Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3,6,6-trimethyl-7H-indazole-4,5-quinone Formula: C18H14F6N2O2 MolecularWeight: 404.306379

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=O)C(=O)C(C2)(C)C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=NN(C2=C1C(=O)C(=O)C(C2)(C)C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H14F6N2O2/c1-8-13-12(7-16(2,3)15(28)14(13)27)26(25-8)11-5-9(17(19,20)21)4-10(6-11)18(22,23)24/h4-6H,7H2,1-3H3