(2R)-4-(4-bromophenyl)-2-(3,5-dimethylpyrazol-1-yl)-4-oxidanylidene-butanoic acid

Systemtic Name: (2R)-4-(4-bromophenyl)-2-(3,5-dimethylpyrazol-1-yl)-4-oxidanylidene-butanoic acid Openeye Name: (2R)-4-(4-bromophenyl)-2-(3,5-dimethylpyrazol-1-yl)-4-oxo-butanoic acid CAS Name: (2R)-4-(4-bromophenyl)-2-(3,5-dimethyl-1-pyrazolyl)-4-oxobutanoic acid IUPAC Name: (2R)-4-(4-bromophenyl)-2-(3,5-dimethylpyrazol-1-yl)-4-oxobutanoic acid Traditional Name: (2R)-4-(4-bromophenyl)-2-(3,5-dimethylpyrazol-1-yl)-4-keto-butyric acid Formula: C15H15BrN2O3 MolecularWeight: 351.1952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=NN1[C@H](CC(=O)C2=CC=C(C=C2)Br)C(=O)O)C

InChI

InChI=1S/C15H15BrN2O3/c1-9-7-10(2)18(17-9)13(15(20)21)8-14(19)11-3-5-12(16)6-4-11/h3-7,13H,8H2,1-2H3,(H,20,21)/t13-/m1/s1