4-bromanyl-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylic acid

Systemtic Name: 4-bromanyl-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylic acid Openeye Name: 4-bromo-5-(1-methylpyrazol-4-yl)isoxazole-3-carboxylic acid CAS Name: 4-bromo-5-(1-methyl-4-pyrazolyl)-3-isoxazolecarboxylic acid IUPAC Name: 4-bromo-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylic acid Traditional Name: 4-bromo-5-(1-methylpyrazol-4-yl)isoxazole-3-carboxylic acid Formula: C8H6BrN3O3 MolecularWeight: 272.05554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C2=C(C(=NO2)C(=O)O)Br

Isomeric SMILES

CN1C=C(C=N1)C2=C(C(=NO2)C(=O)O)Br

InChI

InChI=1S/C8H6BrN3O3/c1-12-3-4(2-10-12)7-5(9)6(8(13)14)11-15-7/h2-3H,1H3,(H,13,14)