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

Systemtic Name: 1-(5-bromanyl-2,4-dimethoxy-phenyl)-2-isocyano-ethanol Openeye Name: 1-(5-bromo-2,4-dimethoxy-phenyl)-2-isocyano-ethanol CAS Name: 1-(5-bromo-2,4-dimethoxyphenyl)-2-isocyanoethanol IUPAC Name: 1-(5-bromo-2,4-dimethoxyphenyl)-2-isocyanoethanol Traditional Name: 1-(5-bromo-2,4-dimethoxy-phenyl)-2-isocyano-ethanol Formula: C11H12BrNO3 MolecularWeight: 286.12188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(C[N+]#[C-])O)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(C[N+]#[C-])O)Br)OC

InChI

InChI=1S/C11H12BrNO3/c1-13-6-9(14)7-4-8(12)11(16-3)5-10(7)15-2/h4-5,9,14H,6H2,2-3H3