(2S)-4-(4-bromophenyl)-2-(3-methylpyrazol-1-yl)-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-4-(4-bromophenyl)-2-(3-methylpyrazol-1-yl)-4-oxidanylidene-butanoic acid Openeye Name: (2S)-4-(4-bromophenyl)-2-(3-methylpyrazol-1-yl)-4-oxo-butanoic acid CAS Name: (2S)-4-(4-bromophenyl)-2-(3-methyl-1-pyrazolyl)-4-oxobutanoic acid IUPAC Name: (2S)-4-(4-bromophenyl)-2-(3-methylpyrazol-1-yl)-4-oxobutanoic acid Traditional Name: (2S)-4-(4-bromophenyl)-4-keto-2-(3-methylpyrazol-1-yl)butyric acid Formula: C14H13BrN2O3 MolecularWeight: 337.16862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)C(CC(=O)C2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

CC1=NN(C=C1)[C@@H](CC(=O)C2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C14H13BrN2O3/c1-9-6-7-17(16-9)12(14(19)20)8-13(18)10-2-4-11(15)5-3-10/h2-7,12H,8H2,1H3,(H,19,20)/t12-/m0/s1