1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxylic acid

Systemtic Name: 1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxylic acid Openeye Name: 1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxylic acid CAS Name: 1-[(2,5-dimethylphenoxy)methyl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxylic acid Traditional Name: 1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxylic acid Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3/c1-9-3-4-10(2)12(7-9)18-8-15-6-5-11(14-15)13(16)17/h3-7H,8H2,1-2H3,(H,16,17)