2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)butanedioic acid

Systemtic Name: 2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)butanedioic acid Openeye Name: 2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)butanedioic acid CAS Name: 2-(4-bromo-3,5-dimethyl-1-pyrazolyl)butanedioic acid IUPAC Name: 2-(4-bromo-3,5-dimethylpyrazol-1-yl)butanedioic acid Traditional Name: 2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)succinic acid Formula: C9H11BrN2O4 MolecularWeight: 291.09864

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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(=NN1C(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)