2-[(4-bromanyl-2-nitro-phenyl)amino]ethanenitrile

Systemtic Name: 2-[(4-bromanyl-2-nitro-phenyl)amino]ethanenitrile Openeye Name: 2-(4-bromo-2-nitro-anilino)acetonitrile CAS Name: 2-(4-bromo-2-nitroanilino)acetonitrile IUPAC Name: 2-(4-bromo-2-nitroanilino)acetonitrile Traditional Name: 2-(4-bromo-2-nitro-anilino)acetonitrile Formula: C8H6BrN3O2 MolecularWeight: 256.05614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)[N+](=O)[O-])NCC#N

Isomeric SMILES

C1=CC(=C(C=C1Br)[N+](=O)[O-])NCC#N

InChI

InChI=1S/C8H6BrN3O2/c9-6-1-2-7(11-4-3-10)8(5-6)12(13)14/h1-2,5,11H,4H2