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

Systemtic Name: 3-chloranyl-4-ethyl-2-(2-methylpropyl)benzenecarbonitrile Openeye Name: 3-chloro-4-ethyl-2-isobutyl-benzonitrile CAS Name: 3-chloro-4-ethyl-2-(2-methylpropyl)benzonitrile IUPAC Name: 3-chloro-4-ethyl-2-(2-methylpropyl)benzonitrile Traditional Name: 3-chloro-4-ethyl-2-isobutyl-benzonitrile Formula: C13H16ClN MolecularWeight: 221.72584

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)C#N)CC(C)C)Cl

Isomeric SMILES

CCC1=C(C(=C(C=C1)C#N)CC(C)C)Cl

InChI

InChI=1S/C13H16ClN/c1-4-10-5-6-11(8-15)12(13(10)14)7-9(2)3/h5-6,9H,4,7H2,1-3H3