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

Systemtic Name: 1-tert-butyl-5-phenyl-pyrazole-4-carboxylic acid Openeye Name: 1-tert-butyl-5-phenyl-pyrazole-4-carboxylic acid CAS Name: 1-tert-butyl-5-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 1-tert-butyl-5-phenylpyrazole-4-carboxylic acid Traditional Name: 1-tert-butyl-5-phenyl-pyrazole-4-carboxylic acid Formula: C14H16N2O2 MolecularWeight: 244.28904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O2/c1-14(2,3)16-12(10-7-5-4-6-8-10)11(9-15-16)13(17)18/h4-9H,1-3H3,(H,17,18)