2-[3-bromanyl-1-methyl-5-[4-(trifluoromethyl)phenyl]carbonyl-pyrrol-2-yl]propanenitrile

Systemtic Name: 2-[3-bromanyl-1-methyl-5-[4-(trifluoromethyl)phenyl]carbonyl-pyrrol-2-yl]propanenitrile Openeye Name: 2-[3-bromo-1-methyl-5-[4-(trifluoromethyl)benzoyl]pyrrol-2-yl]propanenitrile CAS Name: 2-[3-bromo-1-methyl-5-[oxo-[4-(trifluoromethyl)phenyl]methyl]-2-pyrrolyl]propanenitrile IUPAC Name: 2-[3-bromo-1-methyl-5-[4-(trifluoromethyl)benzoyl]pyrrol-2-yl]propanenitrile Traditional Name: 2-[3-bromo-1-methyl-5-[4-(trifluoromethyl)benzoyl]pyrrol-2-yl]propionitrile Formula: C16H12BrF3N2O MolecularWeight: 385.17849

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)C1=C(C=C(N1C)C(=O)C2=CC=C(C=C2)C(F)(F)F)Br

Isomeric SMILES

CC(C#N)C1=C(C=C(N1C)C(=O)C2=CC=C(C=C2)C(F)(F)F)Br

InChI

InChI=1S/C16H12BrF3N2O/c1-9(8-21)14-12(17)7-13(22(14)2)15(23)10-3-5-11(6-4-10)16(18,19)20/h3-7,9H,1-2H3