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

Systemtic Name: 3-tert-butyl-5-chloranyl-1-phenyl-pyrazole-4-carboxylic acid Openeye Name: 3-tert-butyl-5-chloro-1-phenyl-pyrazole-4-carboxylic acid CAS Name: 3-tert-butyl-5-chloro-1-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 3-tert-butyl-5-chloro-1-phenylpyrazole-4-carboxylic acid Traditional Name: 3-tert-butyl-5-chloro-1-phenyl-pyrazole-4-carboxylic acid Formula: C14H15ClN2O2 MolecularWeight: 278.7341

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1C(=O)O)Cl)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1C(=O)O)Cl)C2=CC=CC=C2

InChI

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