[(2R)-3-oxidanylidenebutan-2-yl] 4-(3,5-dimethylpyrazol-1-yl)benzoate

Systemtic Name: [(2R)-3-oxidanylidenebutan-2-yl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Openeye Name: [(1R)-1-methyl-2-oxo-propyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)benzoic acid [(2R)-3-oxobutan-2-yl] ester IUPAC Name: [(2R)-3-oxobutan-2-yl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)benzoic acid [(1R)-2-keto-1-methyl-propyl] ester Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OC(C)C(=O)C)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)O[C@H](C)C(=O)C)C

InChI

InChI=1S/C16H18N2O3/c1-10-9-11(2)18(17-10)15-7-5-14(6-8-15)16(20)21-13(4)12(3)19/h5-9,13H,1-4H3/t13-/m1/s1