2-[(5-methoxy-2-nitro-phenyl)methyl]-1,3-dioxane

Systemtic Name: 2-[(5-methoxy-2-nitro-phenyl)methyl]-1,3-dioxane Openeye Name: 2-[(5-methoxy-2-nitro-phenyl)methyl]-1,3-dioxane CAS Name: 2-[(5-methoxy-2-nitrophenyl)methyl]-1,3-dioxane IUPAC Name: 2-[(5-methoxy-2-nitrophenyl)methyl]-1,3-dioxane Traditional Name: 2-(5-methoxy-2-nitro-benzyl)-1,3-dioxane Formula: C12H15NO5 MolecularWeight: 253.2512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)[N+](=O)[O-])CC2OCCCO2

Isomeric SMILES

COC1=CC(=C(C=C1)[N+](=O)[O-])CC2OCCCO2

InChI

InChI=1S/C12H15NO5/c1-16-10-3-4-11(13(14)15)9(7-10)8-12-17-5-2-6-18-12/h3-4,7,12H,2,5-6,8H2,1H3