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

Systemtic Name: 3-chloranyl-5-(cyanomethyl)-4-(2-methylpropyl)benzenecarbonitrile Openeye Name: 3-chloro-5-(cyanomethyl)-4-isobutyl-benzonitrile CAS Name: 3-chloro-5-(cyanomethyl)-4-(2-methylpropyl)benzonitrile IUPAC Name: 3-chloro-5-(cyanomethyl)-4-(2-methylpropyl)benzonitrile Traditional Name: 3-chloro-5-(cyanomethyl)-4-isobutyl-benzonitrile Formula: C13H13ClN2 MolecularWeight: 232.70872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=C(C=C1Cl)C#N)CC#N

Isomeric SMILES

CC(C)CC1=C(C=C(C=C1Cl)C#N)CC#N

InChI

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