4-bromanyl-2-(2-methylpropyl)pyrazole-3-carboxylic acid

Systemtic Name: 4-bromanyl-2-(2-methylpropyl)pyrazole-3-carboxylic acid Openeye Name: 4-bromo-2-isobutyl-pyrazole-3-carboxylic acid CAS Name: 4-bromo-2-(2-methylpropyl)-3-pyrazolecarboxylic acid IUPAC Name: 4-bromo-2-(2-methylpropyl)pyrazole-3-carboxylic acid Traditional Name: 4-bromo-2-isobutyl-pyrazole-3-carboxylic acid Formula: C8H11BrN2O2 MolecularWeight: 247.08914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C=N1)Br)C(=O)O

Isomeric SMILES

CC(C)CN1C(=C(C=N1)Br)C(=O)O

InChI

InChI=1S/C8H11BrN2O2/c1-5(2)4-11-7(8(12)13)6(9)3-10-11/h3,5H,4H2,1-2H3,(H,12,13)