3-[3-chloranyl-3-(4-methylphenyl)-2H-1,2,4-oxadiazol-5-yl]propanoic acid

Systemtic Name: 3-[3-chloranyl-3-(4-methylphenyl)-2H-1,2,4-oxadiazol-5-yl]propanoic acid Openeye Name: 3-[3-chloro-3-(p-tolyl)-2H-1,2,4-oxadiazol-5-yl]propanoic acid CAS Name: 3-[3-chloro-3-(4-methylphenyl)-2H-1,2,4-oxadiazol-5-yl]propanoic acid IUPAC Name: 3-[3-chloro-3-(4-methylphenyl)-2H-1,2,4-oxadiazol-5-yl]propanoic acid Traditional Name: 3-[3-chloro-3-(p-tolyl)-2H-1,2,4-oxadiazol-5-yl]propionic acid Formula: C12H13ClN2O3 MolecularWeight: 268.69622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(NOC(=N2)CCC(=O)O)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2(NOC(=N2)CCC(=O)O)Cl

InChI

InChI=1S/C12H13ClN2O3/c1-8-2-4-9(5-3-8)12(13)14-10(18-15-12)6-7-11(16)17/h2-5,15H,6-7H2,1H3,(H,16,17)