2-[[4-azanyl-3-(trifluoromethyl)phenyl]-(cyanomethyl)amino]ethanenitrile

Systemtic Name: 2-[[4-azanyl-3-(trifluoromethyl)phenyl]-(cyanomethyl)amino]ethanenitrile Openeye Name: 2-[4-amino-N-(cyanomethyl)-3-(trifluoromethyl)anilino]acetonitrile CAS Name: 2-[4-amino-N-(cyanomethyl)-3-(trifluoromethyl)anilino]acetonitrile IUPAC Name: 2-[4-amino-N-(cyanomethyl)-3-(trifluoromethyl)anilino]acetonitrile Traditional Name: 2-[4-amino-N-(cyanomethyl)-3-(trifluoromethyl)anilino]acetonitrile Formula: C11H9F3N4 MolecularWeight: 254.21117

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N(CC#N)CC#N)C(F)(F)F)N

Isomeric SMILES

C1=CC(=C(C=C1N(CC#N)CC#N)C(F)(F)F)N

InChI

InChI=1S/C11H9F3N4/c12-11(13,14)9-7-8(1-2-10(9)17)18(5-3-15)6-4-16/h1-2,7H,5-6,17H2