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

Systemtic Name: 1-(2,5-dimethoxy-4-methyl-phenyl)-2-isocyano-ethanol Openeye Name: 1-(2,5-dimethoxy-4-methyl-phenyl)-2-isocyano-ethanol CAS Name: 1-(2,5-dimethoxy-4-methylphenyl)-2-isocyanoethanol IUPAC Name: 1-(2,5-dimethoxy-4-methylphenyl)-2-isocyanoethanol Traditional Name: 1-(2,5-dimethoxy-4-methyl-phenyl)-2-isocyano-ethanol Formula: C12H15NO3 MolecularWeight: 221.2524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OC)C(C[N+]#[C-])O)OC

Isomeric SMILES

CC1=CC(=C(C=C1OC)C(C[N+]#[C-])O)OC

InChI

InChI=1S/C12H15NO3/c1-8-5-12(16-4)9(6-11(8)15-3)10(14)7-13-2/h5-6,10,14H,7H2,1,3-4H3