methyl 3-chloranyl-3,3-bis(fluoranyl)-2-oxidanyl-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl 3-chloranyl-3,3-bis(fluoranyl)-2-oxidanyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl 2-(benzyloxycarbonylamino)-3-chloro-3,3-difluoro-2-hydroxy-propanoate CAS Name: 3-chloro-3,3-difluoro-2-hydroxy-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl 3-chloro-3,3-difluoro-2-hydroxy-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-chloro-3,3-difluoro-2-hydroxy-propionic acid methyl ester Formula: C12H12ClF2NO5 MolecularWeight: 323.677186

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(F)(F)Cl)(NC(=O)OCC1=CC=CC=C1)O

Isomeric SMILES

COC(=O)C(C(F)(F)Cl)(NC(=O)OCC1=CC=CC=C1)O

InChI

InChI=1S/C12H12ClF2NO5/c1-20-9(17)11(19,12(13,14)15)16-10(18)21-7-8-5-3-2-4-6-8/h2-6,19H,7H2,1H3,(H,16,18)