(2R)-2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)butanedioate

Systemtic Name: (2R)-2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)butanedioate Openeye Name: (2R)-2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)butanedioate CAS Name: (2R)-2-(4-bromo-3,5-dimethyl-1-pyrazolyl)butanedioate IUPAC Name: (2R)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)butanedioate Traditional Name: (2R)-2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)succinate Formula: C9H9BrN2O4-2 MolecularWeight: 289.08276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(CC(=O)[O-])C(=O)[O-])C)Br

Isomeric SMILES

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

InChI

InChI=1S/C9H11BrN2O4/c1-4-8(10)5(2)12(11-4)6(9(15)16)3-7(13)14/h6H,3H2,1-2H3,(H,13,14)(H,15,16)/p-2/t6-/m1/s1