methyl 2,4-bis(fluoranyl)-5-(3-oxidanylidenebutanoylamino)benzoate

Systemtic Name: methyl 2,4-bis(fluoranyl)-5-(3-oxidanylidenebutanoylamino)benzoate Openeye Name: methyl 2,4-difluoro-5-(3-oxobutanoylamino)benzoate CAS Name: 5-(1,3-dioxobutylamino)-2,4-difluorobenzoic acid methyl ester IUPAC Name: methyl 2,4-difluoro-5-(3-oxobutanoylamino)benzoate Traditional Name: 5-(acetoacetylamino)-2,4-difluoro-benzoic acid methyl ester Formula: C12H11F2NO4 MolecularWeight: 271.216846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC1=C(C=C(C(=C1)C(=O)OC)F)F

Isomeric SMILES

CC(=O)CC(=O)NC1=C(C=C(C(=C1)C(=O)OC)F)F

InChI

InChI=1S/C12H11F2NO4/c1-6(16)3-11(17)15-10-4-7(12(18)19-2)8(13)5-9(10)14/h4-5H,3H2,1-2H3,(H,15,17)