5-tert-butyl-2-chloranyl-4-(cyanomethyl)benzenecarbonitrile

Systemtic Name: 5-tert-butyl-2-chloranyl-4-(cyanomethyl)benzenecarbonitrile Openeye Name: 5-tert-butyl-2-chloro-4-(cyanomethyl)benzonitrile CAS Name: 5-tert-butyl-2-chloro-4-(cyanomethyl)benzonitrile IUPAC Name: 5-tert-butyl-2-chloro-4-(cyanomethyl)benzonitrile Traditional Name: 5-tert-butyl-2-chloro-4-(cyanomethyl)benzonitrile Formula: C13H13ClN2 MolecularWeight: 232.70872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClN2/c1-13(2,3)11-6-10(8-16)12(14)7-9(11)4-5-15/h6-7H,4H2,1-3H3