5-[4-(1,3-benzodioxol-5-yl)-4-methoxy-1,3-dinitro-butan-2-yl]-1,3-benzodioxole

Systemtic Name: 5-[4-(1,3-benzodioxol-5-yl)-4-methoxy-1,3-dinitro-butan-2-yl]-1,3-benzodioxole Openeye Name: 5-[3-(1,3-benzodioxol-5-yl)-3-methoxy-2-nitro-1-(nitromethyl)propyl]-1,3-benzodioxole CAS Name: 5-[4-(1,3-benzodioxol-5-yl)-4-methoxy-1,3-dinitrobutan-2-yl]-1,3-benzodioxole IUPAC Name: 5-[4-(1,3-benzodioxol-5-yl)-4-methoxy-1,3-dinitrobutan-2-yl]-1,3-benzodioxole Traditional Name: 5-[3-(1,3-benzodioxol-5-yl)-3-methoxy-2-nitro-1-(nitromethyl)propyl]-1,3-benzodioxole Formula: C19H18N2O9 MolecularWeight: 418.35422

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=CC2=C(C=C1)OCO2)C(C(C[N+](=O)[O-])C3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

COC(C1=CC2=C(C=C1)OCO2)C(C(C[N+](=O)[O-])C3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O9/c1-26-19(12-3-5-15-17(7-12)30-10-28-15)18(21(24)25)13(8-20(22)23)11-2-4-14-16(6-11)29-9-27-14/h2-7,13,18-19H,8-10H2,1H3