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

Systemtic Name: 5-tert-butyl-3-methyl-1-phenyl-pyrazole-4-carboxylic acid Openeye Name: 5-tert-butyl-3-methyl-1-phenyl-pyrazole-4-carboxylic acid CAS Name: 5-tert-butyl-3-methyl-1-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 5-tert-butyl-3-methyl-1-phenylpyrazole-4-carboxylic acid Traditional Name: 5-tert-butyl-3-methyl-1-phenyl-pyrazole-4-carboxylic acid Formula: C15H18N2O2 MolecularWeight: 258.31562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)O)C(C)(C)C)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1C(=O)O)C(C)(C)C)C2=CC=CC=C2

InChI

InChI=1S/C15H18N2O2/c1-10-12(14(18)19)13(15(2,3)4)17(16-10)11-8-6-5-7-9-11/h5-9H,1-4H3,(H,18,19)