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

Systemtic Name: 4-bromanyl-2-ethyl-5-methyl-pyrazole-3-carboxylate Openeye Name: 4-bromo-2-ethyl-5-methyl-pyrazole-3-carboxylate CAS Name: 4-bromo-2-ethyl-5-methyl-3-pyrazolecarboxylate IUPAC Name: 4-bromo-2-ethyl-5-methylpyrazole-3-carboxylate Traditional Name: 4-bromo-2-ethyl-5-methyl-pyrazole-3-carboxylate Formula: C7H8BrN2O2- MolecularWeight: 232.05462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)Br)C(=O)[O-]

Isomeric SMILES

CCN1C(=C(C(=N1)C)Br)C(=O)[O-]

InChI

InChI=1S/C7H9BrN2O2/c1-3-10-6(7(11)12)5(8)4(2)9-10/h3H2,1-2H3,(H,11,12)/p-1