7-(1,3-benzodioxol-5-yl)-8-nitro-9-(oxan-2-yloxy)-1,4-dioxaspiro[4.5]decane

Systemtic Name: 7-(1,3-benzodioxol-5-yl)-8-nitro-9-(oxan-2-yloxy)-1,4-dioxaspiro[4.5]decane Openeye Name: 7-(1,3-benzodioxol-5-yl)-8-nitro-9-tetrahydropyran-2-yloxy-1,4-dioxaspiro[4.5]decane CAS Name: 7-(1,3-benzodioxol-5-yl)-8-nitro-9-(2-oxanyloxy)-1,4-dioxaspiro[4.5]decane IUPAC Name: 7-(1,3-benzodioxol-5-yl)-8-nitro-9-(oxan-2-yloxy)-1,4-dioxaspiro[4.5]decane Traditional Name: 7-(1,3-benzodioxol-5-yl)-8-nitro-9-tetrahydropyran-2-yloxy-1,4-dioxaspiro[4.5]decane Formula: C20H25NO8 MolecularWeight: 407.4144

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OC2CC3(CC(C2[N+](=O)[O-])C4=CC5=C(C=C4)OCO5)OCCO3

Isomeric SMILES

C1CCOC(C1)OC2CC3(CC(C2[N+](=O)[O-])C4=CC5=C(C=C4)OCO5)OCCO3

InChI

InChI=1S/C20H25NO8/c22-21(23)19-14(13-4-5-15-16(9-13)26-12-25-15)10-20(27-7-8-28-20)11-17(19)29-18-3-1-2-6-24-18/h4-5,9,14,17-19H,1-3,6-8,10-12H2