[3-acetyloxy-5-(2-nitro-1-oxidanyl-ethyl)phenyl] ethanoate

Systemtic Name: [3-acetyloxy-5-(2-nitro-1-oxidanyl-ethyl)phenyl] ethanoate Openeye Name: [3-acetoxy-5-(1-hydroxy-2-nitro-ethyl)phenyl] acetate CAS Name: acetic acid [3-acetyloxy-5-(1-hydroxy-2-nitroethyl)phenyl] ester IUPAC Name: [3-acetyloxy-5-(1-hydroxy-2-nitroethyl)phenyl] acetate Traditional Name: acetic acid [3-acetoxy-5-(1-hydroxy-2-nitro-ethyl)phenyl] ester Formula: C12H13NO7 MolecularWeight: 283.23412

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=CC(=C1)C(C[N+](=O)[O-])O)OC(=O)C

Isomeric SMILES

CC(=O)OC1=CC(=CC(=C1)C(C[N+](=O)[O-])O)OC(=O)C

InChI

InChI=1S/C12H13NO7/c1-7(14)19-10-3-9(12(16)6-13(17)18)4-11(5-10)20-8(2)15/h3-5,12,16H,6H2,1-2H3