2-butyl-3-(cyanomethyl)-5-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-butyl-3-(cyanomethyl)-5-fluoranyl-benzenecarbonitrile Openeye Name: 2-butyl-3-(cyanomethyl)-5-fluoro-benzonitrile CAS Name: 2-butyl-3-(cyanomethyl)-5-fluorobenzonitrile IUPAC Name: 2-butyl-3-(cyanomethyl)-5-fluorobenzonitrile Traditional Name: 2-butyl-3-(cyanomethyl)-5-fluoro-benzonitrile Formula: C13H13FN2 MolecularWeight: 216.254123

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(C=C1C#N)F)CC#N

Isomeric SMILES

CCCCC1=C(C=C(C=C1C#N)F)CC#N

InChI

InChI=1S/C13H13FN2/c1-2-3-4-13-10(5-6-15)7-12(14)8-11(13)9-16/h7-8H,2-5H2,1H3