3-butyl-5-chloranyl-4-(cyanomethyl)benzenecarbonitrile

Systemtic Name: 3-butyl-5-chloranyl-4-(cyanomethyl)benzenecarbonitrile Openeye Name: 3-butyl-5-chloro-4-(cyanomethyl)benzonitrile CAS Name: 3-butyl-5-chloro-4-(cyanomethyl)benzonitrile IUPAC Name: 3-butyl-5-chloro-4-(cyanomethyl)benzonitrile Traditional Name: 3-butyl-5-chloro-4-(cyanomethyl)benzonitrile Formula: C13H13ClN2 MolecularWeight: 232.70872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=CC(=C1)C#N)Cl)CC#N

Isomeric SMILES

CCCCC1=C(C(=CC(=C1)C#N)Cl)CC#N

InChI

InChI=1S/C13H13ClN2/c1-2-3-4-11-7-10(9-16)8-13(14)12(11)5-6-15/h7-8H,2-5H2,1H3