4-chloranyl-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxylic acid

Systemtic Name: 4-chloranyl-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxylic acid Openeye Name: 4-chloro-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxylic acid CAS Name: 4-chloro-1-[(2,4-dimethylphenoxy)methyl]-3-pyrazolecarboxylic acid IUPAC Name: 4-chloro-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxylic acid Traditional Name: 4-chloro-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxylic acid Formula: C13H13ClN2O3 MolecularWeight: 280.70692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCN2C=C(C(=N2)C(=O)O)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCN2C=C(C(=N2)C(=O)O)Cl)C

InChI

InChI=1S/C13H13ClN2O3/c1-8-3-4-11(9(2)5-8)19-7-16-6-10(14)12(15-16)13(17)18/h3-6H,7H2,1-2H3,(H,17,18)