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

Systemtic Name: 2-(2-nitro-1-oxidanyl-propyl)-5-phenylmethoxy-pyran-4-one Openeye Name: 5-benzyloxy-2-(1-hydroxy-2-nitro-propyl)pyran-4-one CAS Name: 2-(1-hydroxy-2-nitropropyl)-5-phenylmethoxy-4-pyranone IUPAC Name: 2-(1-hydroxy-2-nitropropyl)-5-phenylmethoxypyran-4-one Traditional Name: 5-benzoxy-2-(1-hydroxy-2-nitro-propyl)pyran-4-one Formula: C15H15NO6 MolecularWeight: 305.2827

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC(=O)C(=CO1)OCC2=CC=CC=C2)O)[N+](=O)[O-]

Isomeric SMILES

CC(C(C1=CC(=O)C(=CO1)OCC2=CC=CC=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C15H15NO6/c1-10(16(19)20)15(18)13-7-12(17)14(9-22-13)21-8-11-5-3-2-4-6-11/h2-7,9-10,15,18H,8H2,1H3