1-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]pyrazole-3-carboxylate

Systemtic Name: 1-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]pyrazole-3-carboxylate Openeye Name: 1-[(4-chloro-3,5-dimethyl-phenoxy)methyl]pyrazole-3-carboxylate CAS Name: 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-pyrazolecarboxylate IUPAC Name: 1-[(4-chloro-3,5-dimethylphenoxy)methyl]pyrazole-3-carboxylate Traditional Name: 1-[(4-chloro-3,5-dimethyl-phenoxy)methyl]pyrazole-3-carboxylate Formula: C13H12ClN2O3- MolecularWeight: 279.69898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCN2C=CC(=N2)C(=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCN2C=CC(=N2)C(=O)[O-]

InChI

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