2-[3-[2,2,2-tris(fluoranyl)ethanoyl]indol-1-yl]ethanenitrile

Systemtic Name: 2-[3-[2,2,2-tris(fluoranyl)ethanoyl]indol-1-yl]ethanenitrile Openeye Name: 2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetonitrile CAS Name: 2-[3-(2,2,2-trifluoro-1-oxoethyl)-1-indolyl]acetonitrile IUPAC Name: 2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetonitrile Traditional Name: 2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetonitrile Formula: C12H7F3N2O MolecularWeight: 252.19199

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC#N)C(=O)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC#N)C(=O)C(F)(F)F

InChI

InChI=1S/C12H7F3N2O/c13-12(14,15)11(18)9-7-17(6-5-16)10-4-2-1-3-8(9)10/h1-4,7H,6H2