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

Systemtic Name: 4-bromanyl-2-methyl-5-nitro-pyrazole-3-carboxylic acid Openeye Name: 4-bromo-2-methyl-5-nitro-pyrazole-3-carboxylic acid CAS Name: 4-bromo-2-methyl-5-nitro-3-pyrazolecarboxylic acid IUPAC Name: 4-bromo-2-methyl-5-nitropyrazole-3-carboxylic acid Traditional Name: 4-bromo-2-methyl-5-nitro-pyrazole-3-carboxylic acid Formula: C5H4BrN3O4 MolecularWeight: 250.00696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)[N+](=O)[O-])Br)C(=O)O

Isomeric SMILES

CN1C(=C(C(=N1)[N+](=O)[O-])Br)C(=O)O

InChI

InChI=1S/C5H4BrN3O4/c1-8-3(5(10)11)2(6)4(7-8)9(12)13/h1H3,(H,10,11)