5-(5-methyl-5-nitro-1,3-dioxan-2-yl)-1,3-benzodioxole

Systemtic Name: 5-(5-methyl-5-nitro-1,3-dioxan-2-yl)-1,3-benzodioxole Openeye Name: 5-(5-methyl-5-nitro-1,3-dioxan-2-yl)-1,3-benzodioxole CAS Name: 5-(5-methyl-5-nitro-1,3-dioxan-2-yl)-1,3-benzodioxole IUPAC Name: 5-(5-methyl-5-nitro-1,3-dioxan-2-yl)-1,3-benzodioxole Traditional Name: 5-(5-methyl-5-nitro-1,3-dioxan-2-yl)-1,3-benzodioxole Formula: C12H13NO6 MolecularWeight: 267.23472

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(OC1)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CC1(COC(OC1)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C12H13NO6/c1-12(13(14)15)5-16-11(17-6-12)8-2-3-9-10(4-8)19-7-18-9/h2-4,11H,5-7H2,1H3