[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-chloranyl-2-fluoranyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-chloranyl-2-fluoranyl-benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-chloro-2-fluoro-benzoate CAS Name: 4-chloro-2-fluorobenzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-chloro-2-fluorobenzoate Traditional Name: 4-chloro-2-fluoro-benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C12H9ClFNO3 MolecularWeight: 269.656163

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)C1=C(C=C(C=C1)Cl)F

Isomeric SMILES

C#CCNC(=O)COC(=O)C1=C(C=C(C=C1)Cl)F

InChI

InChI=1S/C12H9ClFNO3/c1-2-5-15-11(16)7-18-12(17)9-4-3-8(13)6-10(9)14/h1,3-4,6H,5,7H2,(H,15,16)