2-(2-nitrophenyl)ethanenitrile; 2-phenylethanenitrile

Systemtic Name: 2-(2-nitrophenyl)ethanenitrile; 2-phenylethanenitrile Openeye Name: 2-(2-nitrophenyl)acetonitrile; 2-phenylacetonitrile CAS Name: 2-(2-nitrophenyl)acetonitrile; 2-phenylacetonitrile IUPAC Name: 2-(2-nitrophenyl)acetonitrile; 2-phenylacetonitrile Traditional Name: 2-(2-nitrophenyl)acetonitrile; 2-phenylacetonitrile Formula: C16H13N3O2 MolecularWeight: 279.29332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC#N.C1=CC=C(C(=C1)CC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC#N.C1=CC=C(C(=C1)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C8H6N2O2.C8H7N/c9-6-5-7-3-1-2-4-8(7)10(11)12;9-7-6-8-4-2-1-3-5-8/h1-4H,5H2;1-5H,6H2