4-bromanyl-2-methyl-5-propyl-pyrazole-3-carboxylic acid

Systemtic Name: 4-bromanyl-2-methyl-5-propyl-pyrazole-3-carboxylic acid Openeye Name: 4-bromo-2-methyl-5-propyl-pyrazole-3-carboxylic acid CAS Name: 4-bromo-2-methyl-5-propyl-3-pyrazolecarboxylic acid IUPAC Name: 4-bromo-2-methyl-5-propylpyrazole-3-carboxylic acid Traditional Name: 4-bromo-2-methyl-5-propyl-pyrazole-3-carboxylic acid Formula: C8H11BrN2O2 MolecularWeight: 247.08914

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1Br)C(=O)O)C

Isomeric SMILES

CCCC1=NN(C(=C1Br)C(=O)O)C

InChI

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