2-chloranyl-4-(cyanomethyl)-5-(2-methylpropyl)benzenecarbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=C(C(=C1)C#N)Cl)CC#N

Isomeric SMILES

CC(C)CC1=C(C=C(C(=C1)C#N)Cl)CC#N

InChI

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