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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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