[(1R,2R)-1-(3,5-dimethoxyphenyl)-2-nitro-propyl] ethanoate

Systemtic Name: [(1R,2R)-1-(3,5-dimethoxyphenyl)-2-nitro-propyl] ethanoate Openeye Name: [(1R,2R)-1-(3,5-dimethoxyphenyl)-2-nitro-propyl] acetate CAS Name: acetic acid [(1R,2R)-1-(3,5-dimethoxyphenyl)-2-nitropropyl] ester IUPAC Name: [(1R,2R)-1-(3,5-dimethoxyphenyl)-2-nitropropyl] acetate Traditional Name: acetic acid [(1R,2R)-1-(3,5-dimethoxyphenyl)-2-nitro-propyl] ester Formula: C13H17NO6 MolecularWeight: 283.27718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]([C@@H](C1=CC(=CC(=C1)OC)OC)OC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H17NO6/c1-8(14(16)17)13(20-9(2)15)10-5-11(18-3)7-12(6-10)19-4/h5-8,13H,1-4H3/t8-,13+/m1/s1