1-(2-bromanyl-3,4,5-trimethoxy-phenyl)-2-isocyano-ethanol

Systemtic Name: 1-(2-bromanyl-3,4,5-trimethoxy-phenyl)-2-isocyano-ethanol Openeye Name: 1-(2-bromo-3,4,5-trimethoxy-phenyl)-2-isocyano-ethanol CAS Name: 1-(2-bromo-3,4,5-trimethoxyphenyl)-2-isocyanoethanol IUPAC Name: 1-(2-bromo-3,4,5-trimethoxyphenyl)-2-isocyanoethanol Traditional Name: 1-(2-bromo-3,4,5-trimethoxy-phenyl)-2-isocyano-ethanol Formula: C12H14BrNO4 MolecularWeight: 316.14786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(C[N+]#[C-])O)Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(C[N+]#[C-])O)Br)OC)OC

InChI

InChI=1S/C12H14BrNO4/c1-14-6-8(15)7-5-9(16-2)11(17-3)12(18-4)10(7)13/h5,8,15H,6H2,2-4H3