2-cyano-3-(4-fluorophenyl)pentanedioic acid

Systemtic Name: 2-cyano-3-(4-fluorophenyl)pentanedioic acid Openeye Name: 2-cyano-3-(4-fluorophenyl)pentanedioic acid CAS Name: 2-cyano-3-(4-fluorophenyl)pentanedioic acid IUPAC Name: 2-cyano-3-(4-fluorophenyl)pentanedioic acid Traditional Name: 2-cyano-3-(4-fluorophenyl)glutaric acid Formula: C12H10FNO4 MolecularWeight: 251.210503

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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)