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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClN2/c1-9(2)7-12-10(5-6-15)3-4-11(8-16)13(12)14/h3-4,9H,5,7H2,1-2H3