1-(3,4-dimethoxyphenyl)-2-nitro-ethanol

Systemtic Name: 1-(3,4-dimethoxyphenyl)-2-nitro-ethanol Openeye Name: 1-(3,4-dimethoxyphenyl)-2-nitro-ethanol CAS Name: 1-(3,4-dimethoxyphenyl)-2-nitroethanol IUPAC Name: 1-(3,4-dimethoxyphenyl)-2-nitroethanol Traditional Name: 1-(3,4-dimethoxyphenyl)-2-nitro-ethanol Formula: C10H13NO5 MolecularWeight: 227.21392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13NO5/c1-15-9-4-3-7(5-10(9)16-2)8(12)6-11(13)14/h3-5,8,12H,6H2,1-2H3