1-[2,2-dimethyl-3-oxidanyl-6-(trifluoromethyloxy)-3,4-dihydrochromen-4-yl]-5,6-dimethoxy-2H-indazol-3-one

Systemtic Name: 1-[2,2-dimethyl-3-oxidanyl-6-(trifluoromethyloxy)-3,4-dihydrochromen-4-yl]-5,6-dimethoxy-2H-indazol-3-one Openeye Name: 1-[3-hydroxy-2,2-dimethyl-6-(trifluoromethoxy)chroman-4-yl]-5,6-dimethoxy-2H-indazol-3-one CAS Name: 1-[3-hydroxy-2,2-dimethyl-6-(trifluoromethoxy)-3,4-dihydro-2H-1-benzopyran-4-yl]-5,6-dimethoxy-2H-indazol-3-one IUPAC Name: 1-[3-hydroxy-2,2-dimethyl-6-(trifluoromethoxy)-3,4-dihydrochromen-4-yl]-5,6-dimethoxy-2H-indazol-3-one Traditional Name: 1-[3-hydroxy-2,2-dimethyl-6-(trifluoromethoxy)chroman-4-yl]-5,6-dimethoxy-indazolin-3-one Formula: C21H21F3N2O6 MolecularWeight: 454.39645

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)OC(F)(F)F)N3C4=CC(=C(C=C4C(=O)N3)OC)OC)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)OC(F)(F)F)N3C4=CC(=C(C=C4C(=O)N3)OC)OC)O)C

InChI

InChI=1S/C21H21F3N2O6/c1-20(2)18(27)17(12-7-10(31-21(22,23)24)5-6-14(12)32-20)26-13-9-16(30-4)15(29-3)8-11(13)19(28)25-26/h5-9,17-18,27H,1-4H3,(H,25,28)