5-[1,1,1-tris(bromanyl)-3-nitro-propan-2-yl]-1,3-benzodioxole

Systemtic Name: 5-[1,1,1-tris(bromanyl)-3-nitro-propan-2-yl]-1,3-benzodioxole Openeye Name: 5-[2,2,2-tribromo-1-(nitromethyl)ethyl]-1,3-benzodioxole CAS Name: 5-(1,1,1-tribromo-3-nitropropan-2-yl)-1,3-benzodioxole IUPAC Name: 5-(1,1,1-tribromo-3-nitropropan-2-yl)-1,3-benzodioxole Traditional Name: 5-[2,2,2-tribromo-1-(nitromethyl)ethyl]-1,3-benzodioxole Formula: C10H8Br3NO4 MolecularWeight: 445.88682

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C[N+](=O)[O-])C(Br)(Br)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(C[N+](=O)[O-])C(Br)(Br)Br

InChI

InChI=1S/C10H8Br3NO4/c11-10(12,13)7(4-14(15)16)6-1-2-8-9(3-6)18-5-17-8/h1-3,7H,4-5H2