5-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]-1,3,4-oxadiazole-2-carboxylic acid

Systemtic Name: 5-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]-1,3,4-oxadiazole-2-carboxylic acid Openeye Name: 5-[(4-chloro-3,5-dimethyl-phenoxy)methyl]-1,3,4-oxadiazole-2-carboxylic acid CAS Name: 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-1,3,4-oxadiazole-2-carboxylic acid IUPAC Name: 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-1,3,4-oxadiazole-2-carboxylic acid Traditional Name: 5-[(4-chloro-3,5-dimethyl-phenoxy)methyl]-1,3,4-oxadiazole-2-carboxylic acid Formula: C12H11ClN2O4 MolecularWeight: 282.67974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC2=NN=C(O2)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCC2=NN=C(O2)C(=O)O

InChI

InChI=1S/C12H11ClN2O4/c1-6-3-8(4-7(2)10(6)13)18-5-9-14-15-11(19-9)12(16)17/h3-4H,5H2,1-2H3,(H,16,17)