5-tert-butyl-1-(3-chlorophenyl)pyrazole-3-carboxylate

Systemtic Name: 5-tert-butyl-1-(3-chlorophenyl)pyrazole-3-carboxylate Openeye Name: 5-tert-butyl-1-(3-chlorophenyl)pyrazole-3-carboxylate CAS Name: 5-tert-butyl-1-(3-chlorophenyl)-3-pyrazolecarboxylate IUPAC Name: 5-tert-butyl-1-(3-chlorophenyl)pyrazole-3-carboxylate Traditional Name: 5-tert-butyl-1-(3-chlorophenyl)pyrazole-3-carboxylate Formula: C14H14ClN2O2- MolecularWeight: 277.72616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NN1C2=CC(=CC=C2)Cl)C(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=NN1C2=CC(=CC=C2)Cl)C(=O)[O-]

InChI

InChI=1S/C14H15ClN2O2/c1-14(2,3)12-8-11(13(18)19)16-17(12)10-6-4-5-9(15)7-10/h4-8H,1-3H3,(H,18,19)/p-1