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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=NN1C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=C(C=NN1C2=CC=CC=C2)C(=O)O

InChI

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