[(2S)-1-(4-methylphenoxy)-3-nitrooxy-propan-2-yl] ethanoate

Systemtic Name: [(2S)-1-(4-methylphenoxy)-3-nitrooxy-propan-2-yl] ethanoate Openeye Name: [(1S)-1-[(4-methylphenoxy)methyl]-2-nitrooxy-ethyl] acetate CAS Name: acetic acid [(2S)-1-(4-methylphenoxy)-3-nitrooxypropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylphenoxy)-3-nitrooxypropan-2-yl] acetate Traditional Name: acetic acid [(1S)-1-[(4-methylphenoxy)methyl]-2-nitrooxy-ethyl] ester Formula: C12H15NO6 MolecularWeight: 269.2506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(CO[N+](=O)[O-])OC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)OC[C@@H](CO[N+](=O)[O-])OC(=O)C

InChI

InChI=1S/C12H15NO6/c1-9-3-5-11(6-4-9)17-7-12(19-10(2)14)8-18-13(15)16/h3-6,12H,7-8H2,1-2H3/t12-/m0/s1