methyl 2,3-dimethyl-6-oxidanyl-4-[2,2,2-tris(fluoranyl)ethanoylamino]benzoate

Systemtic Name: methyl 2,3-dimethyl-6-oxidanyl-4-[2,2,2-tris(fluoranyl)ethanoylamino]benzoate Openeye Name: methyl 6-hydroxy-2,3-dimethyl-4-[(2,2,2-trifluoroacetyl)amino]benzoate CAS Name: 6-hydroxy-2,3-dimethyl-4-[(2,2,2-trifluoro-1-oxoethyl)amino]benzoic acid methyl ester IUPAC Name: methyl 6-hydroxy-2,3-dimethyl-4-[(2,2,2-trifluoroacetyl)amino]benzoate Traditional Name: 6-hydroxy-2,3-dimethyl-4-[(2,2,2-trifluoroacetyl)amino]benzoic acid methyl ester Formula: C12H12F3NO4 MolecularWeight: 291.22319

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1NC(=O)C(F)(F)F)O)C(=O)OC)C

Isomeric SMILES

CC1=C(C(=C(C=C1NC(=O)C(F)(F)F)O)C(=O)OC)C

InChI

InChI=1S/C12H12F3NO4/c1-5-6(2)9(10(18)20-3)8(17)4-7(5)16-11(19)12(13,14)15/h4,17H,1-3H3,(H,16,19)