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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=CC(=C1CC#N)Cl)C#N

Isomeric SMILES

CC(C)CC1=C(C=CC(=C1CC#N)Cl)C#N

InChI

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