2-butan-2-yl-4-(cyanomethyl)-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-butan-2-yl-4-(cyanomethyl)-6-fluoranyl-benzenecarbonitrile Openeye Name: 4-(cyanomethyl)-2-fluoro-6-sec-butyl-benzonitrile CAS Name: 2-butan-2-yl-4-(cyanomethyl)-6-fluorobenzonitrile IUPAC Name: 2-butan-2-yl-4-(cyanomethyl)-6-fluorobenzonitrile Traditional Name: 4-(cyanomethyl)-2-fluoro-6-sec-butyl-benzonitrile Formula: C13H13FN2 MolecularWeight: 216.254123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13FN2/c1-3-9(2)11-6-10(4-5-15)7-13(14)12(11)8-16/h6-7,9H,3-4H2,1-2H3