5-tert-butyl-5-oxidanyl-1-(2-phenylethanoyl)-4H-pyrazole-3-carboxylic acid

Systemtic Name: 5-tert-butyl-5-oxidanyl-1-(2-phenylethanoyl)-4H-pyrazole-3-carboxylic acid Openeye Name: 5-tert-butyl-5-hydroxy-1-(2-phenylacetyl)-4H-pyrazole-3-carboxylic acid CAS Name: 5-tert-butyl-5-hydroxy-1-(1-oxo-2-phenylethyl)-4H-pyrazole-3-carboxylic acid IUPAC Name: 5-tert-butyl-5-hydroxy-1-(2-phenylacetyl)-4H-pyrazole-3-carboxylic acid Traditional Name: 5-tert-butyl-5-hydroxy-1-(2-phenylacetyl)-2-pyrazoline-3-carboxylic acid Formula: C16H20N2O4 MolecularWeight: 304.341

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1(CC(=NN1C(=O)CC2=CC=CC=C2)C(=O)O)O

Isomeric SMILES

CC(C)(C)C1(CC(=NN1C(=O)CC2=CC=CC=C2)C(=O)O)O

InChI

InChI=1S/C16H20N2O4/c1-15(2,3)16(22)10-12(14(20)21)17-18(16)13(19)9-11-7-5-4-6-8-11/h4-8,22H,9-10H2,1-3H3,(H,20,21)