[(E)-2,3-diacetyloxy-7-nitro-6-oxidanyl-hept-4-enyl] ethanoate

Systemtic Name: [(E)-2,3-diacetyloxy-7-nitro-6-oxidanyl-hept-4-enyl] ethanoate Openeye Name: [(E)-2,3-diacetoxy-6-hydroxy-7-nitro-hept-4-enyl] acetate CAS Name: acetic acid [(E)-2,3-diacetyloxy-6-hydroxy-7-nitrohept-4-enyl] ester IUPAC Name: [(E)-2,3-diacetyloxy-6-hydroxy-7-nitrohept-4-enyl] acetate Traditional Name: acetic acid [(E)-2,3-diacetoxy-6-hydroxy-7-nitro-hept-4-enyl] ester Formula: C13H19NO9 MolecularWeight: 333.29126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO9/c1-8(15)21-7-13(23-10(3)17)12(22-9(2)16)5-4-11(18)6-14(19)20/h4-5,11-13,18H,6-7H2,1-3H3/b5-4+