4-(3-bromanyl-5-fluoranyl-phenyl)carbonyl-1-methyl-pyrrole-2-carboxylic acid

Systemtic Name: 4-(3-bromanyl-5-fluoranyl-phenyl)carbonyl-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 4-(3-bromo-5-fluoro-benzoyl)-1-methyl-pyrrole-2-carboxylic acid CAS Name: 4-[(3-bromo-5-fluorophenyl)-oxomethyl]-1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 4-(3-bromo-5-fluorobenzoyl)-1-methylpyrrole-2-carboxylic acid Traditional Name: 4-(3-bromo-5-fluoro-benzoyl)-1-methyl-pyrrole-2-carboxylic acid Formula: C13H9BrFNO3 MolecularWeight: 326.117863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)O)C(=O)C2=CC(=CC(=C2)Br)F

Isomeric SMILES

CN1C=C(C=C1C(=O)O)C(=O)C2=CC(=CC(=C2)Br)F

InChI

InChI=1S/C13H9BrFNO3/c1-16-6-8(4-11(16)13(18)19)12(17)7-2-9(14)5-10(15)3-7/h2-6H,1H3,(H,18,19)