3-[5-(2,4-dichlorophenyl)-1,2-oxazol-4-yl]propanoic acid

Systemtic Name: 3-[5-(2,4-dichlorophenyl)-1,2-oxazol-4-yl]propanoic acid Openeye Name: 3-[5-(2,4-dichlorophenyl)isoxazol-4-yl]propanoic acid CAS Name: 3-[5-(2,4-dichlorophenyl)-4-isoxazolyl]propanoic acid IUPAC Name: 3-[5-(2,4-dichlorophenyl)-1,2-oxazol-4-yl]propanoic acid Traditional Name: 3-[5-(2,4-dichlorophenyl)isoxazol-4-yl]propionic acid Formula: C12H9Cl2NO3 MolecularWeight: 286.11076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)C2=C(C=NO2)CCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)C2=C(C=NO2)CCC(=O)O

InChI

InChI=1S/C12H9Cl2NO3/c13-8-2-3-9(10(14)5-8)12-7(6-15-18-12)1-4-11(16)17/h2-3,5-6H,1,4H2,(H,16,17)