3-butan-2-yl-2-chloranyl-4-(cyanomethyl)benzenecarbonitrile

Systemtic Name: 3-butan-2-yl-2-chloranyl-4-(cyanomethyl)benzenecarbonitrile Openeye Name: 2-chloro-4-(cyanomethyl)-3-sec-butyl-benzonitrile CAS Name: 3-butan-2-yl-2-chloro-4-(cyanomethyl)benzonitrile IUPAC Name: 3-butan-2-yl-2-chloro-4-(cyanomethyl)benzonitrile Traditional Name: 2-chloro-4-(cyanomethyl)-3-sec-butyl-benzonitrile Formula: C13H13ClN2 MolecularWeight: 232.70872

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C(C=CC(=C1Cl)C#N)CC#N

Isomeric SMILES

CCC(C)C1=C(C=CC(=C1Cl)C#N)CC#N

InChI

InChI=1S/C13H13ClN2/c1-3-9(2)12-10(6-7-15)4-5-11(8-16)13(12)14/h4-5,9H,3,6H2,1-2H3