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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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