methyl 2-fluoranyl-5-(3-oxidanylidenebutanoylamino)benzoate

Systemtic Name: methyl 2-fluoranyl-5-(3-oxidanylidenebutanoylamino)benzoate Openeye Name: methyl 2-fluoro-5-(3-oxobutanoylamino)benzoate CAS Name: 5-(1,3-dioxobutylamino)-2-fluorobenzoic acid methyl ester IUPAC Name: methyl 2-fluoro-5-(3-oxobutanoylamino)benzoate Traditional Name: 5-(acetoacetylamino)-2-fluoro-benzoic acid methyl ester Formula: C12H12FNO4 MolecularWeight: 253.226383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12FNO4/c1-7(15)5-11(16)14-8-3-4-10(13)9(6-8)12(17)18-2/h3-4,6H,5H2,1-2H3,(H,14,16)