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

Systemtic Name: [(2S)-1-(4-chloranylphenoxy)-3-nitrooxy-propan-2-yl] ethanoate Openeye Name: [(1S)-1-[(4-chlorophenoxy)methyl]-2-nitrooxy-ethyl] acetate CAS Name: acetic acid [(2S)-1-(4-chlorophenoxy)-3-nitrooxypropan-2-yl] ester IUPAC Name: [(2S)-1-(4-chlorophenoxy)-3-nitrooxypropan-2-yl] acetate Traditional Name: acetic acid [(1S)-1-[(4-chlorophenoxy)methyl]-2-nitrooxy-ethyl] ester Formula: C11H12ClNO6 MolecularWeight: 289.66908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)O[C@@H](COC1=CC=C(C=C1)Cl)CO[N+](=O)[O-]

InChI

InChI=1S/C11H12ClNO6/c1-8(14)19-11(7-18-13(15)16)6-17-10-4-2-9(12)3-5-10/h2-5,11H,6-7H2,1H3/t11-/m0/s1