1-[(4-chloranyl-3-ethyl-phenoxy)methyl]pyrazole-3-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)OCN2C=CC(=N2)C(=O)O)Cl

Isomeric SMILES

CCC1=C(C=CC(=C1)OCN2C=CC(=N2)C(=O)O)Cl

InChI

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