methyl (3R)-2-(4-bromophenyl)carbonyl-3-tert-butyl-3-oxidanyl-1H-pyrazole-5-carboxylate

Systemtic Name: methyl (3R)-2-(4-bromophenyl)carbonyl-3-tert-butyl-3-oxidanyl-1H-pyrazole-5-carboxylate Openeye Name: methyl (3R)-2-(4-bromobenzoyl)-3-tert-butyl-3-hydroxy-1H-pyrazole-5-carboxylate CAS Name: (3R)-2-[(4-bromophenyl)-oxomethyl]-3-tert-butyl-3-hydroxy-1H-pyrazole-5-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-(4-bromobenzoyl)-3-tert-butyl-3-hydroxy-1H-pyrazole-5-carboxylate Traditional Name: (5R)-1-(4-bromobenzoyl)-5-tert-butyl-5-hydroxy-3-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(C=C(NN1C(=O)C2=CC=C(C=C2)Br)C(=O)OC)O

Isomeric SMILES

CC(C)(C)[C@@]1(C=C(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/h5-9,18,22H,1-4H3/t16-/m1/s1