1-(3-chloranyl-4-methoxy-phenyl)-5-ethyl-pyrazole-3-carboxylic acid

Systemtic Name: 1-(3-chloranyl-4-methoxy-phenyl)-5-ethyl-pyrazole-3-carboxylic acid Openeye Name: 1-(3-chloro-4-methoxy-phenyl)-5-ethyl-pyrazole-3-carboxylic acid CAS Name: 1-(3-chloro-4-methoxyphenyl)-5-ethyl-3-pyrazolecarboxylic acid IUPAC Name: 1-(3-chloro-4-methoxyphenyl)-5-ethylpyrazole-3-carboxylic acid Traditional Name: 1-(3-chloro-4-methoxy-phenyl)-5-ethyl-pyrazole-3-carboxylic acid Formula: C13H13ClN2O3 MolecularWeight: 280.70692

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NN1C2=CC(=C(C=C2)OC)Cl)C(=O)O

Isomeric SMILES

CCC1=CC(=NN1C2=CC(=C(C=C2)OC)Cl)C(=O)O

InChI

InChI=1S/C13H13ClN2O3/c1-3-8-7-11(13(17)18)15-16(8)9-4-5-12(19-2)10(14)6-9/h4-7H,3H2,1-2H3,(H,17,18)