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

Systemtic Name: ethyl 1-(3-bromophenyl)carbonyl-5-tert-butyl-5-oxidanyl-4H-pyrazole-3-carboxylate Openeye Name: ethyl 1-(3-bromobenzoyl)-5-tert-butyl-5-hydroxy-4H-pyrazole-3-carboxylate CAS Name: 1-[(3-bromophenyl)-oxomethyl]-5-tert-butyl-5-hydroxy-4H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-bromobenzoyl)-5-tert-butyl-5-hydroxy-4H-pyrazole-3-carboxylate Traditional Name: 1-(3-bromobenzoyl)-5-tert-butyl-5-hydroxy-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C17H21BrN2O4 MolecularWeight: 397.26364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21BrN2O4/c1-5-24-15(22)13-10-17(23,16(2,3)4)20(19-13)14(21)11-7-6-8-12(18)9-11/h6-9,23H,5,10H2,1-4H3