3-(3-bromanyl-4-ethanoyl-phenyl)-5-(trifluoromethyl)-1H-pyrrole-2-carbonitrile

Systemtic Name: 3-(3-bromanyl-4-ethanoyl-phenyl)-5-(trifluoromethyl)-1H-pyrrole-2-carbonitrile Openeye Name: 3-(4-acetyl-3-bromo-phenyl)-5-(trifluoromethyl)-1H-pyrrole-2-carbonitrile CAS Name: 3-(4-acetyl-3-bromophenyl)-5-(trifluoromethyl)-1H-pyrrole-2-carbonitrile IUPAC Name: 3-(4-acetyl-3-bromophenyl)-5-(trifluoromethyl)-1H-pyrrole-2-carbonitrile Traditional Name: 3-(4-acetyl-3-bromo-phenyl)-5-(trifluoromethyl)-1H-pyrrole-2-carbonitrile Formula: C14H8BrF3N2O MolecularWeight: 357.12533

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H8BrF3N2O/c1-7(21)9-3-2-8(4-11(9)15)10-5-13(14(16,17)18)20-12(10)6-19/h2-5,20H,1H3