2-[5-(4-fluoranyl-3-methyl-phenyl)-1,2-oxazol-3-yl]ethanoate

Systemtic Name: 2-[5-(4-fluoranyl-3-methyl-phenyl)-1,2-oxazol-3-yl]ethanoate Openeye Name: 2-[5-(4-fluoro-3-methyl-phenyl)isoxazol-3-yl]acetate CAS Name: 2-[5-(4-fluoro-3-methylphenyl)-3-isoxazolyl]acetate IUPAC Name: 2-[5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-yl]acetate Traditional Name: 2-[5-(4-fluoro-3-methyl-phenyl)isoxazol-3-yl]acetate Formula: C12H9FNO3- MolecularWeight: 234.203163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC(=NO2)CC(=O)[O-])F

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=NO2)CC(=O)[O-])F

InChI

InChI=1S/C12H10FNO3/c1-7-4-8(2-3-10(7)13)11-5-9(14-17-11)6-12(15)16/h2-5H,6H2,1H3,(H,15,16)/p-1