[(E)-2-isocyano-2-phenyl-ethenyl] 2,2,2-tris(bromanyl)ethanoate

Systemtic Name: [(E)-2-isocyano-2-phenyl-ethenyl] 2,2,2-tris(bromanyl)ethanoate Openeye Name: [(E)-2-isocyano-2-phenyl-vinyl] 2,2,2-tribromoacetate CAS Name: 2,2,2-tribromoacetic acid [(E)-2-isocyano-2-phenylethenyl] ester IUPAC Name: [(E)-2-isocyano-2-phenylethenyl] 2,2,2-tribromoacetate Traditional Name: 2,2,2-tribromoacetic acid [(E)-2-isocyano-2-phenyl-vinyl] ester Formula: C11H6Br3NO2 MolecularWeight: 423.88284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H6Br3NO2/c1-15-9(8-5-3-2-4-6-8)7-17-10(16)11(12,13)14/h2-7H/b9-7+