2-acetamido-2-[3-(4-fluorophenyl)-3-oxidanylidene-propyl]propanedioic acid

Systemtic Name: 2-acetamido-2-[3-(4-fluorophenyl)-3-oxidanylidene-propyl]propanedioic acid Openeye Name: 2-acetamido-2-[3-(4-fluorophenyl)-3-oxo-propyl]propanedioic acid CAS Name: 2-acetamido-2-[3-(4-fluorophenyl)-3-oxopropyl]propanedioic acid IUPAC Name: 2-acetamido-2-[3-(4-fluorophenyl)-3-oxopropyl]propanedioic acid Traditional Name: 2-acetamido-2-[3-(4-fluorophenyl)-3-keto-propyl]malonic acid Formula: C14H14FNO6 MolecularWeight: 311.262463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14FNO6/c1-8(17)16-14(12(19)20,13(21)22)7-6-11(18)9-2-4-10(15)5-3-9/h2-5H,6-7H2,1H3,(H,16,17)(H,19,20)(H,21,22)