5-[3-(1,3-benzodioxol-5-yl)-2-nitro-propyl]-1,3-benzodioxole

Systemtic Name: 5-[3-(1,3-benzodioxol-5-yl)-2-nitro-propyl]-1,3-benzodioxole Openeye Name: 5-[3-(1,3-benzodioxol-5-yl)-2-nitro-propyl]-1,3-benzodioxole CAS Name: 5-[3-(1,3-benzodioxol-5-yl)-2-nitropropyl]-1,3-benzodioxole IUPAC Name: 5-[3-(1,3-benzodioxol-5-yl)-2-nitropropyl]-1,3-benzodioxole Traditional Name: 5-[3-(1,3-benzodioxol-5-yl)-2-nitro-propyl]-1,3-benzodioxole Formula: C17H15NO6 MolecularWeight: 329.3041

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC(CC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC(CC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C17H15NO6/c19-18(20)13(5-11-1-3-14-16(7-11)23-9-21-14)6-12-2-4-15-17(8-12)24-10-22-15/h1-4,7-8,13H,5-6,9-10H2