2,5,5-trimethyl-2-(3-nitrophenyl)-1,3-dioxane

Systemtic Name: 2,5,5-trimethyl-2-(3-nitrophenyl)-1,3-dioxane Openeye Name: 2,5,5-trimethyl-2-(3-nitrophenyl)-1,3-dioxane CAS Name: 2,5,5-trimethyl-2-(3-nitrophenyl)-1,3-dioxane IUPAC Name: 2,5,5-trimethyl-2-(3-nitrophenyl)-1,3-dioxane Traditional Name: 2,5,5-trimethyl-2-(3-nitrophenyl)-1,3-dioxane Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(OC1)(C)C2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1(COC(OC1)(C)C2=CC(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C13H17NO4/c1-12(2)8-17-13(3,18-9-12)10-5-4-6-11(7-10)14(15)16/h4-7H,8-9H2,1-3H3