3-(5-bromanyl-2-ethoxy-phenyl)-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-(5-bromanyl-2-ethoxy-phenyl)-1H-pyrazole-5-carboxylic acid Openeye Name: 3-(5-bromo-2-ethoxy-phenyl)-1H-pyrazole-5-carboxylic acid CAS Name: 3-(5-bromo-2-ethoxyphenyl)-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-(5-bromo-2-ethoxyphenyl)-1H-pyrazole-5-carboxylic acid Traditional Name: 3-(5-bromo-2-ethoxy-phenyl)-1H-pyrazole-5-carboxylic acid Formula: C12H11BrN2O3 MolecularWeight: 311.13134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C2=NNC(=C2)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C2=NNC(=C2)C(=O)O

InChI

InChI=1S/C12H11BrN2O3/c1-2-18-11-4-3-7(13)5-8(11)9-6-10(12(16)17)15-14-9/h3-6H,2H2,1H3,(H,14,15)(H,16,17)