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

Systemtic Name: 1-tert-butyl-3-phenyl-pyrazole-4-carboxylic acid Openeye Name: 1-tert-butyl-3-phenyl-pyrazole-4-carboxylic acid CAS Name: 1-tert-butyl-3-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 1-tert-butyl-3-phenylpyrazole-4-carboxylic acid Traditional Name: 1-tert-butyl-3-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)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

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

InChI

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