diethyl 2-[(1S)-1-(4-cyanophenyl)-3-oxidanylidene-propyl]-2-fluoranyl-propanedioate

Systemtic Name: diethyl 2-[(1S)-1-(4-cyanophenyl)-3-oxidanylidene-propyl]-2-fluoranyl-propanedioate Openeye Name: diethyl 2-[(1S)-1-(4-cyanophenyl)-3-oxo-propyl]-2-fluoro-propanedioate CAS Name: 2-[(1S)-1-(4-cyanophenyl)-3-oxopropyl]-2-fluoropropanedioic acid diethyl ester IUPAC Name: diethyl 2-[(1S)-1-(4-cyanophenyl)-3-oxopropyl]-2-fluoropropanedioate Traditional Name: 2-[(1S)-1-(4-cyanophenyl)-3-keto-propyl]-2-fluoro-malonic acid diethyl ester Formula: C17H18FNO5 MolecularWeight: 335.326923

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(CC=O)C1=CC=C(C=C1)C#N)(C(=O)OCC)F

Isomeric SMILES

CCOC(=O)C([C@@H](CC=O)C1=CC=C(C=C1)C#N)(C(=O)OCC)F

InChI

InChI=1S/C17H18FNO5/c1-3-23-15(21)17(18,16(22)24-4-2)14(9-10-20)13-7-5-12(11-19)6-8-13/h5-8,10,14H,3-4,9H2,1-2H3/t14-/m0/s1