3-[[bis(cyanomethyl)amino]methyl]-4-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-[[bis(cyanomethyl)amino]methyl]-4-fluoranyl-benzenecarbonitrile Openeye Name: 3-[[bis(cyanomethyl)amino]methyl]-4-fluoro-benzonitrile CAS Name: 3-[[bis(cyanomethyl)amino]methyl]-4-fluorobenzonitrile IUPAC Name: 3-[[bis(cyanomethyl)amino]methyl]-4-fluorobenzonitrile Traditional Name: 3-[[bis(cyanomethyl)amino]methyl]-4-fluoro-benzonitrile Formula: C12H9FN4 MolecularWeight: 228.225063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)CN(CC#N)CC#N)F

Isomeric SMILES

C1=CC(=C(C=C1C#N)CN(CC#N)CC#N)F

InChI

InChI=1S/C12H9FN4/c13-12-2-1-10(8-16)7-11(12)9-17(5-3-14)6-4-15/h1-2,7H,5-6,9H2