5-(cyanomethyl)-2,4-diethyl-benzenecarbonitrile

Systemtic Name: 5-(cyanomethyl)-2,4-diethyl-benzenecarbonitrile Openeye Name: 5-(cyanomethyl)-2,4-diethyl-benzonitrile CAS Name: 5-(cyanomethyl)-2,4-diethylbenzonitrile IUPAC Name: 5-(cyanomethyl)-2,4-diethylbenzonitrile Traditional Name: 5-(cyanomethyl)-2,4-diethyl-benzonitrile Formula: C13H14N2 MolecularWeight: 198.26366

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1C#N)CC#N)CC

Isomeric SMILES

CCC1=CC(=C(C=C1C#N)CC#N)CC

InChI

InChI=1S/C13H14N2/c1-3-10-7-11(4-2)13(9-15)8-12(10)5-6-14/h7-8H,3-5H2,1-2H3