methyl 5-tert-butyl-5-oxidanyl-1-(2-phenylethanoyl)-4H-pyrazole-3-carboxylate

Systemtic Name: methyl 5-tert-butyl-5-oxidanyl-1-(2-phenylethanoyl)-4H-pyrazole-3-carboxylate Openeye Name: methyl 5-tert-butyl-5-hydroxy-1-(2-phenylacetyl)-4H-pyrazole-3-carboxylate CAS Name: 5-tert-butyl-5-hydroxy-1-(1-oxo-2-phenylethyl)-4H-pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-tert-butyl-5-hydroxy-1-(2-phenylacetyl)-4H-pyrazole-3-carboxylate Traditional Name: 5-tert-butyl-5-hydroxy-1-(2-phenylacetyl)-2-pyrazoline-3-carboxylic acid methyl ester Formula: C17H22N2O4 MolecularWeight: 318.36758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4/c1-16(2,3)17(22)11-13(15(21)23-4)18-19(17)14(20)10-12-8-6-5-7-9-12/h5-9,22H,10-11H2,1-4H3