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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(C=C1Cl)C#N)CC#N

Isomeric SMILES

CCCCC1=C(C=C(C=C1Cl)C#N)CC#N

InChI

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