6-methyl-1-[2-methyl-4-(trifluoromethyloxy)phenyl]-3,7-dihydro-2H-pyrrolo[2,3-b]pyridin-4-one; tris(fluoranyl)methanesulfonic acid

Systemtic Name: 6-methyl-1-[2-methyl-4-(trifluoromethyloxy)phenyl]-3,7-dihydro-2H-pyrrolo[2,3-b]pyridin-4-one; tris(fluoranyl)methanesulfonic acid Openeye Name: 6-methyl-1-[2-methyl-4-(trifluoromethoxy)phenyl]-3,7-dihydro-2H-pyrrolo[2,3-b]pyridin-4-one; trifluoromethanesulfonic acid CAS Name: 6-methyl-1-[2-methyl-4-(trifluoromethoxy)phenyl]-3,7-dihydro-2H-pyrrolo[2,3-b]pyridin-4-one; trifluoromethanesulfonic acid IUPAC Name: 6-methyl-1-[2-methyl-4-(trifluoromethoxy)phenyl]-3,7-dihydro-2H-pyrrolo[2,3-b]pyridin-4-one; trifluoromethanesulfonic acid Traditional Name: 6-methyl-1-[2-methyl-4-(trifluoromethoxy)phenyl]-3,7-dihydro-2H-pyrrolo[2,3-b]pyridin-4-one; triflic acid Formula: C17H16F6N2O5S MolecularWeight: 474.374759

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C2=C(N1)N(CC2)C3=C(C=C(C=C3)OC(F)(F)F)C.C(F)(F)(F)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=O)C2=C(N1)N(CC2)C3=C(C=C(C=C3)OC(F)(F)F)C.C(F)(F)(F)S(=O)(=O)O

InChI

InChI=1S/C16H15F3N2O2.CHF3O3S/c1-9-7-11(23-16(17,18)19)3-4-13(9)21-6-5-12-14(22)8-10(2)20-15(12)21;2-1(3,4)8(5,6)7/h3-4,7-8H,5-6H2,1-2H3,(H,20,22);(H,5,6,7)