4-bromanyl-1-propan-2-yl-pyrazole-3-carboxylate

Systemtic Name: 4-bromanyl-1-propan-2-yl-pyrazole-3-carboxylate Openeye Name: 4-bromo-1-isopropyl-pyrazole-3-carboxylate CAS Name: 4-bromo-1-propan-2-yl-3-pyrazolecarboxylate IUPAC Name: 4-bromo-1-propan-2-ylpyrazole-3-carboxylate Traditional Name: 4-bromo-1-isopropyl-pyrazole-3-carboxylate Formula: C7H8BrN2O2- MolecularWeight: 232.05462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C(=N1)C(=O)[O-])Br

Isomeric SMILES

CC(C)N1C=C(C(=N1)C(=O)[O-])Br

InChI

InChI=1S/C7H9BrN2O2/c1-4(2)10-3-5(8)6(9-10)7(11)12/h3-4H,1-2H3,(H,11,12)/p-1