2-(2-nitro-1-oxidanyl-ethyl)-5-phenylmethoxy-pyran-4-one

Systemtic Name: 2-(2-nitro-1-oxidanyl-ethyl)-5-phenylmethoxy-pyran-4-one Openeye Name: 5-benzyloxy-2-(1-hydroxy-2-nitro-ethyl)pyran-4-one CAS Name: 2-(1-hydroxy-2-nitroethyl)-5-phenylmethoxy-4-pyranone IUPAC Name: 2-(1-hydroxy-2-nitroethyl)-5-phenylmethoxypyran-4-one Traditional Name: 5-benzoxy-2-(1-hydroxy-2-nitro-ethyl)pyran-4-one Formula: C14H13NO6 MolecularWeight: 291.25612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=COC(=CC2=O)C(C[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)COC2=COC(=CC2=O)C(C[N+](=O)[O-])O

InChI

InChI=1S/C14H13NO6/c16-11-6-13(12(17)7-15(18)19)21-9-14(11)20-8-10-4-2-1-3-5-10/h1-6,9,12,17H,7-8H2