methyl 4-fluoranyl-3-(3-oxidanylidenebutanoylamino)benzoate

Systemtic Name: methyl 4-fluoranyl-3-(3-oxidanylidenebutanoylamino)benzoate Openeye Name: methyl 4-fluoro-3-(3-oxobutanoylamino)benzoate CAS Name: 3-(1,3-dioxobutylamino)-4-fluorobenzoic acid methyl ester IUPAC Name: methyl 4-fluoro-3-(3-oxobutanoylamino)benzoate Traditional Name: 3-(acetoacetylamino)-4-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=CC(=C1)C(=O)OC)F

Isomeric SMILES

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

InChI

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