1-[3,5-bis(bromanyl)-4-isocyanato-phenyl]ethanone

Systemtic Name: 1-[3,5-bis(bromanyl)-4-isocyanato-phenyl]ethanone Openeye Name: 1-(3,5-dibromo-4-isocyanato-phenyl)ethanone CAS Name: 1-(3,5-dibromo-4-isocyanatophenyl)ethanone IUPAC Name: 1-(3,5-dibromo-4-isocyanatophenyl)ethanone Traditional Name: 1-(3,5-dibromo-4-isocyanato-phenyl)ethanone Formula: C9H5Br2NO2 MolecularWeight: 318.9495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C(=C1)Br)N=C=O)Br

Isomeric SMILES

CC(=O)C1=CC(=C(C(=C1)Br)N=C=O)Br

InChI

InChI=1S/C9H5Br2NO2/c1-5(14)6-2-7(10)9(12-4-13)8(11)3-6/h2-3H,1H3