2,6-bis(chloranyl)benzenecarbonitrile; 2-phenylethanenitrile

Systemtic Name: 2,6-bis(chloranyl)benzenecarbonitrile; 2-phenylethanenitrile Openeye Name: 2,6-dichlorobenzonitrile; 2-phenylacetonitrile CAS Name: 2,6-dichlorobenzonitrile; 2-phenylacetonitrile IUPAC Name: 2,6-dichlorobenzonitrile; 2-phenylacetonitrile Traditional Name: 2,6-dichlorobenzonitrile; 2-phenylacetonitrile Formula: C23H17Cl2N3 MolecularWeight: 406.30718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C8H7N.C7H3Cl2N/c2*9-7-6-8-4-2-1-3-5-8;8-6-2-1-3-7(9)5(6)4-10/h2*1-5H,6H2;1-3H