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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=C(C(=N1)C2=CC=CC=C2)C(=O)O)Cl

Isomeric SMILES

CC(C)(C)N1C(=C(C(=N1)C2=CC=CC=C2)C(=O)O)Cl

InChI

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