[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3,5-bis(fluoranyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3,5-bis(fluoranyl)benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3,5-difluorobenzoate CAS Name: 3,5-difluorobenzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3,5-difluorobenzoate Traditional Name: 3,5-difluorobenzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C12H9F2NO3 MolecularWeight: 253.201566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9F2NO3/c1-2-3-15-11(16)7-18-12(17)8-4-9(13)6-10(14)5-8/h1,4-6H,3,7H2,(H,15,16)