6-chloranyl-3-(cyanomethyl)-2-propyl-benzenecarbonitrile

Systemtic Name: 6-chloranyl-3-(cyanomethyl)-2-propyl-benzenecarbonitrile Openeye Name: 6-chloro-3-(cyanomethyl)-2-propyl-benzonitrile CAS Name: 6-chloro-3-(cyanomethyl)-2-propylbenzonitrile IUPAC Name: 6-chloro-3-(cyanomethyl)-2-propylbenzonitrile Traditional Name: 6-chloro-3-(cyanomethyl)-2-propyl-benzonitrile Formula: C12H11ClN2 MolecularWeight: 218.68214

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1C#N)Cl)CC#N

Isomeric SMILES

CCCC1=C(C=CC(=C1C#N)Cl)CC#N

InChI

InChI=1S/C12H11ClN2/c1-2-3-10-9(6-7-14)4-5-12(13)11(10)8-15/h4-5H,2-3,6H2,1H3