methyl (2R)-4-(4-bromophenyl)-2-(3,5-dimethylpyrazol-1-yl)-4-oxidanylidene-butanoate

Systemtic Name: methyl (2R)-4-(4-bromophenyl)-2-(3,5-dimethylpyrazol-1-yl)-4-oxidanylidene-butanoate Openeye Name: methyl (2R)-4-(4-bromophenyl)-2-(3,5-dimethylpyrazol-1-yl)-4-oxo-butanoate CAS Name: (2R)-4-(4-bromophenyl)-2-(3,5-dimethyl-1-pyrazolyl)-4-oxobutanoic acid methyl ester IUPAC Name: methyl (2R)-4-(4-bromophenyl)-2-(3,5-dimethylpyrazol-1-yl)-4-oxobutanoate Traditional Name: (2R)-4-(4-bromophenyl)-2-(3,5-dimethylpyrazol-1-yl)-4-keto-butyric acid methyl ester Formula: C16H17BrN2O3 MolecularWeight: 365.22178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN2O3/c1-10-8-11(2)19(18-10)14(16(21)22-3)9-15(20)12-4-6-13(17)7-5-12/h4-8,14H,9H2,1-3H3/t14-/m1/s1