2-[6,7-dimethyl-2-oxidanylidene-3-(trifluoromethyl)quinoxalin-1-yl]propanoic acid

Systemtic Name: 2-[6,7-dimethyl-2-oxidanylidene-3-(trifluoromethyl)quinoxalin-1-yl]propanoic acid Openeye Name: 2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanoic acid CAS Name: 2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)-1-quinoxalinyl]propanoic acid IUPAC Name: 2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanoic acid Traditional Name: 2-[2-keto-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-1-yl]propionic acid Formula: C14H13F3N2O3 MolecularWeight: 314.25983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C(=O)C(=N2)C(F)(F)F)C(C)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C(=O)C(=N2)C(F)(F)F)C(C)C(=O)O

InChI

InChI=1S/C14H13F3N2O3/c1-6-4-9-10(5-7(6)2)19(8(3)13(21)22)12(20)11(18-9)14(15,16)17/h4-5,8H,1-3H3,(H,21,22)