2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: 2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)ethanoate Openeye Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetate CAS Name: 2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)acetate IUPAC Name: 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetate Traditional Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetate Formula: C6H5BrN3O4- MolecularWeight: 263.0256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)[O-])[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NN1CC(=O)[O-])[N+](=O)[O-])Br

InChI

InChI=1S/C6H6BrN3O4/c1-3-5(7)6(10(13)14)8-9(3)2-4(11)12/h2H2,1H3,(H,11,12)/p-1