[(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-chloranyl-2-fluoranyl-benzoate

Systemtic Name: [(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-chloranyl-2-fluoranyl-benzoate Openeye Name: [(1S)-1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl] 4-chloro-2-fluoro-benzoate CAS Name: 4-chloro-2-fluorobenzoic acid [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-chloro-2-fluorobenzoate Traditional Name: 4-chloro-2-fluoro-benzoic acid [(1S)-2-keto-1-methyl-2-(methylcarbamoylamino)ethyl] ester Formula: C12H12ClFN2O4 MolecularWeight: 302.686083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC)OC(=O)C1=C(C=C(C=C1)Cl)F

InChI

InChI=1S/C12H12ClFN2O4/c1-6(10(17)16-12(19)15-2)20-11(18)8-4-3-7(13)5-9(8)14/h3-6H,1-2H3,(H2,15,16,17,19)/t6-/m0/s1