3-chloranyl-4-(cyanomethyl)-5-propan-2-yl-benzenecarbonitrile

Systemtic Name: 3-chloranyl-4-(cyanomethyl)-5-propan-2-yl-benzenecarbonitrile Openeye Name: 3-chloro-4-(cyanomethyl)-5-isopropyl-benzonitrile CAS Name: 3-chloro-4-(cyanomethyl)-5-propan-2-ylbenzonitrile IUPAC Name: 3-chloro-4-(cyanomethyl)-5-propan-2-ylbenzonitrile Traditional Name: 3-chloro-4-(cyanomethyl)-5-isopropyl-benzonitrile Formula: C12H11ClN2 MolecularWeight: 218.68214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11ClN2/c1-8(2)11-5-9(7-15)6-12(13)10(11)3-4-14/h5-6,8H,3H2,1-2H3