2-(5-tert-butyl-2-nitro-phenyl)ethanenitrile

Systemtic Name: 2-(5-tert-butyl-2-nitro-phenyl)ethanenitrile Openeye Name: 2-(5-tert-butyl-2-nitro-phenyl)acetonitrile CAS Name: 2-(5-tert-butyl-2-nitrophenyl)acetonitrile IUPAC Name: 2-(5-tert-butyl-2-nitrophenyl)acetonitrile Traditional Name: 2-(5-tert-butyl-2-nitro-phenyl)acetonitrile Formula: C12H14N2O2 MolecularWeight: 218.25176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O2/c1-12(2,3)10-4-5-11(14(15)16)9(8-10)6-7-13/h4-5,8H,6H2,1-3H3