2-cyano-3-(4-fluorophenyl)pentanedioate

Systemtic Name: 2-cyano-3-(4-fluorophenyl)pentanedioate Openeye Name: 2-cyano-3-(4-fluorophenyl)pentanedioate CAS Name: 2-cyano-3-(4-fluorophenyl)pentanedioate IUPAC Name: 2-cyano-3-(4-fluorophenyl)pentanedioate Traditional Name: 2-cyano-3-(4-fluorophenyl)glutarate Formula: C12H8FNO4-2 MolecularWeight: 249.194623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CC(=O)[O-])C(C#N)C(=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1C(CC(=O)[O-])C(C#N)C(=O)[O-])F

InChI

InChI=1S/C12H10FNO4/c13-8-3-1-7(2-4-8)9(5-11(15)16)10(6-14)12(17)18/h1-4,9-10H,5H2,(H,15,16)(H,17,18)/p-2