2-[4-bromanyl-5-[4-(trifluoromethyl)phenyl]carbonyl-1H-pyrrol-2-yl]ethanenitrile

Systemtic Name: 2-[4-bromanyl-5-[4-(trifluoromethyl)phenyl]carbonyl-1H-pyrrol-2-yl]ethanenitrile Openeye Name: 2-[4-bromo-5-[4-(trifluoromethyl)benzoyl]-1H-pyrrol-2-yl]acetonitrile CAS Name: 2-[4-bromo-5-[oxo-[4-(trifluoromethyl)phenyl]methyl]-1H-pyrrol-2-yl]acetonitrile IUPAC Name: 2-[4-bromo-5-[4-(trifluoromethyl)benzoyl]-1H-pyrrol-2-yl]acetonitrile Traditional Name: 2-[4-bromo-5-[4-(trifluoromethyl)benzoyl]-1H-pyrrol-2-yl]acetonitrile Formula: C14H8BrF3N2O MolecularWeight: 357.12533

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C2=C(C=C(N2)CC#N)Br)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)C2=C(C=C(N2)CC#N)Br)C(F)(F)F

InChI

InChI=1S/C14H8BrF3N2O/c15-11-7-10(5-6-19)20-12(11)13(21)8-1-3-9(4-2-8)14(16,17)18/h1-4,7,20H,5H2