bis[2,2,2-tris(fluoranyl)ethyl] 2-(phenylcarbamoyl)propanedioate

Systemtic Name: bis[2,2,2-tris(fluoranyl)ethyl] 2-(phenylcarbamoyl)propanedioate Openeye Name: bis(2,2,2-trifluoroethyl) 2-(phenylcarbamoyl)propanedioate CAS Name: 2-[anilino(oxo)methyl]propanedioic acid bis(2,2,2-trifluoroethyl) ester IUPAC Name: bis(2,2,2-trifluoroethyl) 2-(phenylcarbamoyl)propanedioate Traditional Name: 2-(phenylcarbamoyl)malonic acid bis(2,2,2-trifluoroethyl) ester Formula: C14H11F6NO5 MolecularWeight: 387.231259

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C(C(=O)OCC(F)(F)F)C(=O)OCC(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C(C(=O)OCC(F)(F)F)C(=O)OCC(F)(F)F

InChI

InChI=1S/C14H11F6NO5/c15-13(16,17)6-25-11(23)9(12(24)26-7-14(18,19)20)10(22)21-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,21,22)