5-(4-chloranyl-3,5-dimethyl-phenoxy)-1,3-dimethyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-(4-chloranyl-3,5-dimethyl-phenoxy)-1,3-dimethyl-pyrazole-4-carboxylic acid Openeye Name: 5-(4-chloro-3,5-dimethyl-phenoxy)-1,3-dimethyl-pyrazole-4-carboxylic acid CAS Name: 5-(4-chloro-3,5-dimethylphenoxy)-1,3-dimethyl-4-pyrazolecarboxylic acid IUPAC Name: 5-(4-chloro-3,5-dimethylphenoxy)-1,3-dimethylpyrazole-4-carboxylic acid Traditional Name: 5-(4-chloro-3,5-dimethyl-phenoxy)-1,3-dimethyl-pyrazole-4-carboxylic acid Formula: C14H15ClN2O3 MolecularWeight: 294.7335

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=C(C(=NN2C)C)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=C(C(=NN2C)C)C(=O)O

InChI

InChI=1S/C14H15ClN2O3/c1-7-5-10(6-8(2)12(7)15)20-13-11(14(18)19)9(3)16-17(13)4/h5-6H,1-4H3,(H,18,19)