(2E)-2-[(2-ethynyl-6-fluoranyl-phenyl)methylidene]-3-oxidanylidene-butanoate

Systemtic Name: (2E)-2-[(2-ethynyl-6-fluoranyl-phenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: (2E)-2-[(2-ethynyl-6-fluoro-phenyl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(2-ethynyl-6-fluorophenyl)methylidene]-3-oxobutanoate IUPAC Name: (2E)-2-[(2-ethynyl-6-fluorophenyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(2-ethynyl-6-fluoro-phenyl)acrylate Formula: C13H8FO3- MolecularWeight: 231.199223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=C(C=CC=C1F)C#C)C(=O)[O-]

Isomeric SMILES

CC(=O)/C(=C\C1=C(C=CC=C1F)C#C)/C(=O)[O-]

InChI

InChI=1S/C13H9FO3/c1-3-9-5-4-6-12(14)11(9)7-10(8(2)15)13(16)17/h1,4-7H,2H3,(H,16,17)/p-1/b10-7+