4'-nitrospiro[1,2-dioxane-3,3'-isoindole]-1'-amine

Systemtic Name: 4'-nitrospiro[1,2-dioxane-3,3'-isoindole]-1'-amine Openeye Name: 4'-nitrospiro[dioxane-3,3'-isoindole]-1'-amine CAS Name: 4'-nitro-1'-spiro[dioxane-3,3'-isoindole]amine IUPAC Name: 4'-nitrospiro[dioxane-3,3'-isoindole]-1'-amine Traditional Name: (4'-nitrospiro[dioxane-3,3'-isoindole]-1'-yl)amine Formula: C11H11N3O4 MolecularWeight: 249.22274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2(C3=C(C=CC=C3[N+](=O)[O-])C(=N2)N)OOC1

Isomeric SMILES

C1CC2(C3=C(C=CC=C3[N+](=O)[O-])C(=N2)N)OOC1

InChI

InChI=1S/C11H11N3O4/c12-10-7-3-1-4-8(14(15)16)9(7)11(13-10)5-2-6-17-18-11/h1,3-4H,2,5-6H2,(H2,12,13)