3-chloranyl-2-(2-methylpropyl)-6-propan-2-yl-benzenecarbonitrile

Systemtic Name: 3-chloranyl-2-(2-methylpropyl)-6-propan-2-yl-benzenecarbonitrile Openeye Name: 3-chloro-2-isobutyl-6-isopropyl-benzonitrile CAS Name: 3-chloro-2-(2-methylpropyl)-6-propan-2-ylbenzonitrile IUPAC Name: 3-chloro-2-(2-methylpropyl)-6-propan-2-ylbenzonitrile Traditional Name: 3-chloro-2-isobutyl-6-isopropyl-benzonitrile Formula: C14H18ClN MolecularWeight: 235.75242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=CC(=C1C#N)C(C)C)Cl

Isomeric SMILES

CC(C)CC1=C(C=CC(=C1C#N)C(C)C)Cl

InChI

InChI=1S/C14H18ClN/c1-9(2)7-12-13(8-16)11(10(3)4)5-6-14(12)15/h5-6,9-10H,7H2,1-4H3