3-chloranyl-4-(cyanomethyl)-5-propyl-benzenecarbonitrile

Systemtic Name: 3-chloranyl-4-(cyanomethyl)-5-propyl-benzenecarbonitrile Openeye Name: 3-chloro-4-(cyanomethyl)-5-propyl-benzonitrile CAS Name: 3-chloro-4-(cyanomethyl)-5-propylbenzonitrile IUPAC Name: 3-chloro-4-(cyanomethyl)-5-propylbenzonitrile Traditional Name: 3-chloro-4-(cyanomethyl)-5-propyl-benzonitrile Formula: C12H11ClN2 MolecularWeight: 218.68214

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=C1)C#N)Cl)CC#N

Isomeric SMILES

CCCC1=C(C(=CC(=C1)C#N)Cl)CC#N

InChI

InChI=1S/C12H11ClN2/c1-2-3-10-6-9(8-15)7-12(13)11(10)4-5-14/h6-7H,2-4H2,1H3