2-(2-methyl-4-nitro-phenyl)-1,3-dioxane

Systemtic Name: 2-(2-methyl-4-nitro-phenyl)-1,3-dioxane Openeye Name: 2-(2-methyl-4-nitro-phenyl)-1,3-dioxane CAS Name: 2-(2-methyl-4-nitrophenyl)-1,3-dioxane IUPAC Name: 2-(2-methyl-4-nitrophenyl)-1,3-dioxane Traditional Name: 2-(2-methyl-4-nitro-phenyl)-1,3-dioxane Formula: C11H13NO4 MolecularWeight: 223.22522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])C2OCCCO2

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])C2OCCCO2

InChI

InChI=1S/C11H13NO4/c1-8-7-9(12(13)14)3-4-10(8)11-15-5-2-6-16-11/h3-4,7,11H,2,5-6H2,1H3