3-nitro-7-oxabicyclo[2.2.1]hepta-1,3,5-triene; 1-[2-oxidanyl-6-(2-oxidanylpropoxy)phenyl]ethanone

Systemtic Name: 3-nitro-7-oxabicyclo[2.2.1]hepta-1,3,5-triene; 1-[2-oxidanyl-6-(2-oxidanylpropoxy)phenyl]ethanone Openeye Name: 1-[2-hydroxy-6-(2-hydroxypropoxy)phenyl]ethanone; 3-nitro-7-oxabicyclo[2.2.1]hepta-1,3,5-triene CAS Name: 1-[2-hydroxy-6-(2-hydroxypropoxy)phenyl]ethanone; 3-nitro-7-oxabicyclo[2.2.1]hepta-1,3,5-triene IUPAC Name: 1-[2-hydroxy-6-(2-hydroxypropoxy)phenyl]ethanone; 3-nitro-7-oxabicyclo[2.2.1]hepta-1,3,5-triene Traditional Name: 1-[2-hydroxy-6-(2-hydroxypropoxy)phenyl]ethanone; 3-nitro-7-oxabicyclo[2.2.1]hepta-1,3,5-triene Formula: C17H17NO7 MolecularWeight: 347.31938

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC=CC(=C1C(=O)C)O)O.C1=CC2=C(C=C1O2)[N+](=O)[O-]

Isomeric SMILES

CC(COC1=CC=CC(=C1C(=O)C)O)O.C1=CC2=C(C=C1O2)[N+](=O)[O-]

InChI

InChI=1S/C11H14O4.C6H3NO3/c1-7(12)6-15-10-5-3-4-9(14)11(10)8(2)13;8-7(9)5-3-4-1-2-6(5)10-4/h3-5,7,12,14H,6H2,1-2H3;1-3H