ethyl 5-tert-butyl-1-(3-methylphenyl)carbonyl-5-oxidanyl-4H-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-tert-butyl-1-(3-methylphenyl)carbonyl-5-oxidanyl-4H-pyrazole-3-carboxylate Openeye Name: ethyl 5-tert-butyl-5-hydroxy-1-(3-methylbenzoyl)-4H-pyrazole-3-carboxylate CAS Name: 5-tert-butyl-5-hydroxy-1-[(3-methylphenyl)-oxomethyl]-4H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-tert-butyl-5-hydroxy-1-(3-methylbenzoyl)-4H-pyrazole-3-carboxylate Traditional Name: 5-tert-butyl-5-hydroxy-1-m-toluoyl-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C18H24N2O4 MolecularWeight: 332.39416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(C1)(C(C)(C)C)O)C(=O)C2=CC(=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=NN(C(C1)(C(C)(C)C)O)C(=O)C2=CC(=CC=C2)C

InChI

InChI=1S/C18H24N2O4/c1-6-24-16(22)14-11-18(23,17(3,4)5)20(19-14)15(21)13-9-7-8-12(2)10-13/h7-10,23H,6,11H2,1-5H3