methyl 5-methyl-2-[3,3,3-tris(fluoranyl)propanoylamino]benzoate

Systemtic Name: methyl 5-methyl-2-[3,3,3-tris(fluoranyl)propanoylamino]benzoate Openeye Name: methyl 5-methyl-2-(3,3,3-trifluoropropanoylamino)benzoate CAS Name: 5-methyl-2-[(3,3,3-trifluoro-1-oxopropyl)amino]benzoic acid methyl ester IUPAC Name: methyl 5-methyl-2-(3,3,3-trifluoropropanoylamino)benzoate Traditional Name: 5-methyl-2-(3,3,3-trifluoropropanoylamino)benzoic acid methyl ester Formula: C12H12F3NO3 MolecularWeight: 275.22379

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CC(F)(F)F)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CC(F)(F)F)C(=O)OC

InChI

InChI=1S/C12H12F3NO3/c1-7-3-4-9(8(5-7)11(18)19-2)16-10(17)6-12(13,14)15/h3-5H,6H2,1-2H3,(H,16,17)