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

Systemtic Name: methyl (5R)-1-(3-bromophenyl)carbonyl-5-methyl-5-oxidanyl-4H-pyrazole-3-carboxylate Openeye Name: methyl (5R)-1-(3-bromobenzoyl)-5-hydroxy-5-methyl-4H-pyrazole-3-carboxylate CAS Name: (5R)-1-[(3-bromophenyl)-oxomethyl]-5-hydroxy-5-methyl-4H-pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl (5R)-1-(3-bromobenzoyl)-5-hydroxy-5-methyl-4H-pyrazole-3-carboxylate Traditional Name: (5R)-1-(3-bromobenzoyl)-5-hydroxy-5-methyl-2-pyrazoline-3-carboxylic acid methyl ester Formula: C13H13BrN2O4 MolecularWeight: 341.15732

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=NN1C(=O)C2=CC(=CC=C2)Br)C(=O)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C13H13BrN2O4/c1-13(19)7-10(12(18)20-2)15-16(13)11(17)8-4-3-5-9(14)6-8/h3-6,19H,7H2,1-2H3/t13-/m1/s1