[4-(2,3-dinitrooxypropyl)phenyl] ethanoate

Systemtic Name: [4-(2,3-dinitrooxypropyl)phenyl] ethanoate Openeye Name: [4-(2,3-dinitrooxypropyl)phenyl] acetate CAS Name: acetic acid [4-(2,3-dinitrooxypropyl)phenyl] ester IUPAC Name: [4-(2,3-dinitrooxypropyl)phenyl] acetate Traditional Name: acetic acid [4-(2,3-dinitrooxypropyl)phenyl] ester Formula: C11H12N2O8 MolecularWeight: 300.22158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O8/c1-8(14)20-10-4-2-9(3-5-10)6-11(21-13(17)18)7-19-12(15)16/h2-5,11H,6-7H2,1H3