2-(2-bromanyl-3-nitro-phenyl)ethanenitrile

Systemtic Name: 2-(2-bromanyl-3-nitro-phenyl)ethanenitrile Openeye Name: 2-(2-bromo-3-nitro-phenyl)acetonitrile CAS Name: 2-(2-bromo-3-nitrophenyl)acetonitrile IUPAC Name: 2-(2-bromo-3-nitrophenyl)acetonitrile Traditional Name: 2-(2-bromo-3-nitro-phenyl)acetonitrile Formula: C8H5BrN2O2 MolecularWeight: 241.0415

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H5BrN2O2/c9-8-6(4-5-10)2-1-3-7(8)11(12)13/h1-3H,4H2