(2E)-2-[azanyl-(4-fluorophenyl)methylidene]-4-methyl-3-oxidanylidene-pentanoic acid

Systemtic Name: (2E)-2-[azanyl-(4-fluorophenyl)methylidene]-4-methyl-3-oxidanylidene-pentanoic acid Openeye Name: (2E)-2-[amino-(4-fluorophenyl)methylene]-4-methyl-3-oxo-pentanoic acid CAS Name: (2E)-2-[amino-(4-fluorophenyl)methylidene]-4-methyl-3-oxopentanoic acid IUPAC Name: (2E)-2-[amino-(4-fluorophenyl)methylidene]-4-methyl-3-oxopentanoic acid Traditional Name: (E)-3-amino-3-(4-fluorophenyl)-2-isobutyryl-acrylic acid Formula: C13H14FNO3 MolecularWeight: 251.253563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C(=C(C1=CC=C(C=C1)F)N)C(=O)O

Isomeric SMILES

CC(C)C(=O)/C(=C(/C1=CC=C(C=C1)F)\N)/C(=O)O

InChI

InChI=1S/C13H14FNO3/c1-7(2)12(16)10(13(17)18)11(15)8-3-5-9(14)6-4-8/h3-7H,15H2,1-2H3,(H,17,18)/b11-10+