3-butan-2-yl-4-chloranyl-5-(cyanomethyl)benzenecarbonitrile

Systemtic Name: 3-butan-2-yl-4-chloranyl-5-(cyanomethyl)benzenecarbonitrile Openeye Name: 4-chloro-3-(cyanomethyl)-5-sec-butyl-benzonitrile CAS Name: 3-butan-2-yl-4-chloro-5-(cyanomethyl)benzonitrile IUPAC Name: 3-butan-2-yl-4-chloro-5-(cyanomethyl)benzonitrile Traditional Name: 4-chloro-3-(cyanomethyl)-5-sec-butyl-benzonitrile Formula: C13H13ClN2 MolecularWeight: 232.70872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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