2-(2,5-dimethylpyrrol-1-yl)-4-fluoranyl-benzoate

Systemtic Name: 2-(2,5-dimethylpyrrol-1-yl)-4-fluoranyl-benzoate Openeye Name: 2-(2,5-dimethylpyrrol-1-yl)-4-fluoro-benzoate CAS Name: 2-(2,5-dimethyl-1-pyrrolyl)-4-fluorobenzoate IUPAC Name: 2-(2,5-dimethylpyrrol-1-yl)-4-fluorobenzoate Traditional Name: 2-(2,5-dimethylpyrrol-1-yl)-4-fluoro-benzoate Formula: C13H11FNO2- MolecularWeight: 232.230343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=C(C=CC(=C2)F)C(=O)[O-])C

Isomeric SMILES

CC1=CC=C(N1C2=C(C=CC(=C2)F)C(=O)[O-])C

InChI

InChI=1S/C13H12FNO2/c1-8-3-4-9(2)15(8)12-7-10(14)5-6-11(12)13(16)17/h3-7H,1-2H3,(H,16,17)/p-1