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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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