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

Systemtic Name: methyl (5S)-1-(4-bromophenyl)carbonyl-5-tert-butyl-5-oxidanyl-4H-pyrazole-3-carboxylate Openeye Name: methyl (5S)-1-(4-bromobenzoyl)-5-tert-butyl-5-hydroxy-4H-pyrazole-3-carboxylate CAS Name: (5S)-1-[(4-bromophenyl)-oxomethyl]-5-tert-butyl-5-hydroxy-4H-pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl (5S)-1-(4-bromobenzoyl)-5-tert-butyl-5-hydroxy-4H-pyrazole-3-carboxylate Traditional Name: (5S)-1-(4-bromobenzoyl)-5-tert-butyl-5-hydroxy-2-pyrazoline-3-carboxylic acid methyl ester Formula: C16H19BrN2O4 MolecularWeight: 383.23706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)[C@]1(CC(=NN1C(=O)C2=CC=C(C=C2)Br)C(=O)OC)O

InChI

InChI=1S/C16H19BrN2O4/c1-15(2,3)16(22)9-12(14(21)23-4)18-19(16)13(20)10-5-7-11(17)8-6-10/h5-8,22H,9H2,1-4H3/t16-/m0/s1