(3E)-3-[5-[(4-fluorophenyl)methyl]-1H-pyrazin-2-ylidene]-2-oxidanylidene-propanoic acid

Systemtic Name: (3E)-3-[5-[(4-fluorophenyl)methyl]-1H-pyrazin-2-ylidene]-2-oxidanylidene-propanoic acid Openeye Name: (3E)-3-[5-[(4-fluorophenyl)methyl]-1H-pyrazin-2-ylidene]-2-oxo-propanoic acid CAS Name: (3E)-3-[5-[(4-fluorophenyl)methyl]-1H-pyrazin-2-ylidene]-2-oxopropanoic acid IUPAC Name: (3E)-3-[5-[(4-fluorophenyl)methyl]-1H-pyrazin-2-ylidene]-2-oxopropanoic acid Traditional Name: (3E)-3-[5-(4-fluorobenzyl)-1H-pyrazin-2-ylidene]-2-keto-propionic acid Formula: C14H11FN2O3 MolecularWeight: 274.247143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CNC(=CC(=O)C(=O)O)C=N2)F

Isomeric SMILES

C1=CC(=CC=C1CC2=CN/C(=C/C(=O)C(=O)O)/C=N2)F

InChI

InChI=1S/C14H11FN2O3/c15-10-3-1-9(2-4-10)5-11-7-17-12(8-16-11)6-13(18)14(19)20/h1-4,6-8,17H,5H2,(H,19,20)/b12-6+