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

Systemtic Name: 5-tert-butyl-1-(3-chloranyl-4-methoxy-phenyl)pyrazole-3-carboxylic acid Openeye Name: 5-tert-butyl-1-(3-chloro-4-methoxy-phenyl)pyrazole-3-carboxylic acid CAS Name: 5-tert-butyl-1-(3-chloro-4-methoxyphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 5-tert-butyl-1-(3-chloro-4-methoxyphenyl)pyrazole-3-carboxylic acid Traditional Name: 5-tert-butyl-1-(3-chloro-4-methoxy-phenyl)pyrazole-3-carboxylic acid Formula: C15H17ClN2O3 MolecularWeight: 308.76008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NN1C2=CC(=C(C=C2)OC)Cl)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=NN1C2=CC(=C(C=C2)OC)Cl)C(=O)O

InChI

InChI=1S/C15H17ClN2O3/c1-15(2,3)13-8-11(14(19)20)17-18(13)9-5-6-12(21-4)10(16)7-9/h5-8H,1-4H3,(H,19,20)