4-bromanyl-2-methyl-5-propyl-pyrazole-3-carboxylate

Systemtic Name: 4-bromanyl-2-methyl-5-propyl-pyrazole-3-carboxylate Openeye Name: 4-bromo-2-methyl-5-propyl-pyrazole-3-carboxylate CAS Name: 4-bromo-2-methyl-5-propyl-3-pyrazolecarboxylate IUPAC Name: 4-bromo-2-methyl-5-propylpyrazole-3-carboxylate Traditional Name: 4-bromo-2-methyl-5-propyl-pyrazole-3-carboxylate Formula: C8H10BrN2O2- MolecularWeight: 246.0812

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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)/p-1