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

Systemtic Name: 4-bromanyl-5-nitro-2-propyl-pyrazole-3-carboxylic acid Openeye Name: 4-bromo-5-nitro-2-propyl-pyrazole-3-carboxylic acid CAS Name: 4-bromo-5-nitro-2-propyl-3-pyrazolecarboxylic acid IUPAC Name: 4-bromo-5-nitro-2-propylpyrazole-3-carboxylic acid Traditional Name: 4-bromo-5-nitro-2-propyl-pyrazole-3-carboxylic acid Formula: C7H8BrN3O4 MolecularWeight: 278.06012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=N1)[N+](=O)[O-])Br)C(=O)O

Isomeric SMILES

CCCN1C(=C(C(=N1)[N+](=O)[O-])Br)C(=O)O

InChI

InChI=1S/C7H8BrN3O4/c1-2-3-10-5(7(12)13)4(8)6(9-10)11(14)15/h2-3H2,1H3,(H,12,13)