5-cyanato-3-(4-fluorophenyl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-cyanato-3-(4-fluorophenyl)-5-oxidanylidene-pentanoic acid Openeye Name: 5-cyanato-3-(4-fluorophenyl)-5-oxo-pentanoic acid CAS Name: 5-cyanato-3-(4-fluorophenyl)-5-oxopentanoic acid IUPAC Name: 5-cyanato-3-(4-fluorophenyl)-5-oxopentanoic acid Traditional Name: 5-cyanato-3-(4-fluorophenyl)-5-keto-valeric acid Formula: C12H10FNO4 MolecularWeight: 251.210503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CC(=O)O)CC(=O)OC#N)F

Isomeric SMILES

C1=CC(=CC=C1C(CC(=O)O)CC(=O)OC#N)F

InChI

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