3-[5-(4-chloranyl-3-methyl-phenyl)-1,2-oxazol-4-yl]propanoic acid

Systemtic Name: 3-[5-(4-chloranyl-3-methyl-phenyl)-1,2-oxazol-4-yl]propanoic acid Openeye Name: 3-[5-(4-chloro-3-methyl-phenyl)isoxazol-4-yl]propanoic acid CAS Name: 3-[5-(4-chloro-3-methylphenyl)-4-isoxazolyl]propanoic acid IUPAC Name: 3-[5-(4-chloro-3-methylphenyl)-1,2-oxazol-4-yl]propanoic acid Traditional Name: 3-[5-(4-chloro-3-methyl-phenyl)isoxazol-4-yl]propionic acid Formula: C13H12ClNO3 MolecularWeight: 265.69228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=C(C=NO2)CCC(=O)O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C2=C(C=NO2)CCC(=O)O)Cl

InChI

InChI=1S/C13H12ClNO3/c1-8-6-9(2-4-11(8)14)13-10(7-15-18-13)3-5-12(16)17/h2,4,6-7H,3,5H2,1H3,(H,16,17)