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

Systemtic Name: 2-[(5-methyl-2-nitro-phenyl)methyl]-1,3-dioxane Openeye Name: 2-[(5-methyl-2-nitro-phenyl)methyl]-1,3-dioxane CAS Name: 2-[(5-methyl-2-nitrophenyl)methyl]-1,3-dioxane IUPAC Name: 2-[(5-methyl-2-nitrophenyl)methyl]-1,3-dioxane Traditional Name: 2-(5-methyl-2-nitro-benzyl)-1,3-dioxane Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])CC2OCCCO2

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])CC2OCCCO2

InChI

InChI=1S/C12H15NO4/c1-9-3-4-11(13(14)15)10(7-9)8-12-16-5-2-6-17-12/h3-4,7,12H,2,5-6,8H2,1H3