2-acetamido-2-[3-[2,4-bis(fluoranyl)phenyl]-3-oxidanylidene-propyl]propanedioic acid

Systemtic Name: 2-acetamido-2-[3-[2,4-bis(fluoranyl)phenyl]-3-oxidanylidene-propyl]propanedioic acid Openeye Name: 2-acetamido-2-[3-(2,4-difluorophenyl)-3-oxo-propyl]propanedioic acid CAS Name: 2-acetamido-2-[3-(2,4-difluorophenyl)-3-oxopropyl]propanedioic acid IUPAC Name: 2-acetamido-2-[3-(2,4-difluorophenyl)-3-oxopropyl]propanedioic acid Traditional Name: 2-acetamido-2-[3-(2,4-difluorophenyl)-3-keto-propyl]malonic acid Formula: C14H13F2NO6 MolecularWeight: 329.252926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13F2NO6/c1-7(18)17-14(12(20)21,13(22)23)5-4-11(19)9-3-2-8(15)6-10(9)16/h2-3,6H,4-5H2,1H3,(H,17,18)(H,20,21)(H,22,23)