tert-butyl 5-(3-bromophenyl)-5-oxidanyl-3-phenyl-4H-pyrazole-1-carboxylate

Systemtic Name: tert-butyl 5-(3-bromophenyl)-5-oxidanyl-3-phenyl-4H-pyrazole-1-carboxylate Openeye Name: tert-butyl 5-(3-bromophenyl)-5-hydroxy-3-phenyl-4H-pyrazole-1-carboxylate CAS Name: 5-(3-bromophenyl)-5-hydroxy-3-phenyl-4H-pyrazole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(3-bromophenyl)-5-hydroxy-3-phenyl-4H-pyrazole-1-carboxylate Traditional Name: 5-(3-bromophenyl)-5-hydroxy-3-phenyl-2-pyrazoline-1-carboxylic acid tert-butyl ester Formula: C20H21BrN2O3 MolecularWeight: 417.29634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(CC(=N1)C2=CC=CC=C2)(C3=CC(=CC=C3)Br)O

Isomeric SMILES

CC(C)(C)OC(=O)N1C(CC(=N1)C2=CC=CC=C2)(C3=CC(=CC=C3)Br)O

InChI

InChI=1S/C20H21BrN2O3/c1-19(2,3)26-18(24)23-20(25,15-10-7-11-16(21)12-15)13-17(22-23)14-8-5-4-6-9-14/h4-12,25H,13H2,1-3H3