2,2-dimethyl-5-nitro-5-(phenoxymethyl)-1,3-dioxane

Systemtic Name: 2,2-dimethyl-5-nitro-5-(phenoxymethyl)-1,3-dioxane Openeye Name: 2,2-dimethyl-5-nitro-5-(phenoxymethyl)-1,3-dioxane CAS Name: 2,2-dimethyl-5-nitro-5-(phenoxymethyl)-1,3-dioxane IUPAC Name: 2,2-dimethyl-5-nitro-5-(phenoxymethyl)-1,3-dioxane Traditional Name: 2,2-dimethyl-5-nitro-5-(phenoxymethyl)-1,3-dioxane Formula: C13H17NO5 MolecularWeight: 267.27778

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)(COC2=CC=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1(OCC(CO1)(COC2=CC=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C13H17NO5/c1-12(2)18-9-13(10-19-12,14(15)16)8-17-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3