2-(3,4-dichlorophenyl)ethanenitrile; 2-phenylethanenitrile

Systemtic Name: 2-(3,4-dichlorophenyl)ethanenitrile; 2-phenylethanenitrile Openeye Name: 2-(3,4-dichlorophenyl)acetonitrile; 2-phenylacetonitrile CAS Name: 2-(3,4-dichlorophenyl)acetonitrile; 2-phenylacetonitrile IUPAC Name: 2-(3,4-dichlorophenyl)acetonitrile; 2-phenylacetonitrile Traditional Name: 2-(3,4-dichlorophenyl)acetonitrile; 2-phenylacetonitrile Formula: C16H12Cl2N2 MolecularWeight: 303.18588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC#N.C1=CC(=C(C=C1CC#N)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC#N.C1=CC(=C(C=C1CC#N)Cl)Cl

InChI

InChI=1S/C8H5Cl2N.C8H7N/c9-7-2-1-6(3-4-11)5-8(7)10;9-7-6-8-4-2-1-3-5-8/h1-2,5H,3H2;1-5H,6H2