2-[3-(bromomethyl)-2-nitro-phenyl]ethanenitrile

Systemtic Name: 2-[3-(bromomethyl)-2-nitro-phenyl]ethanenitrile Openeye Name: 2-[3-(bromomethyl)-2-nitro-phenyl]acetonitrile CAS Name: 2-[3-(bromomethyl)-2-nitrophenyl]acetonitrile IUPAC Name: 2-[3-(bromomethyl)-2-nitrophenyl]acetonitrile Traditional Name: 2-[3-(bromomethyl)-2-nitro-phenyl]acetonitrile Formula: C9H7BrN2O2 MolecularWeight: 255.06808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7BrN2O2/c10-6-8-3-1-2-7(4-5-11)9(8)12(13)14/h1-3H,4,6H2