7-[bis(5-ethylfuran-2-yl)methyl]-6-nitro-2,3-dihydro-1,4-benzodioxine

Systemtic Name: 7-[bis(5-ethylfuran-2-yl)methyl]-6-nitro-2,3-dihydro-1,4-benzodioxine Openeye Name: 7-[bis(5-ethyl-2-furyl)methyl]-6-nitro-2,3-dihydro-1,4-benzodioxine CAS Name: 7-[bis(5-ethyl-2-furanyl)methyl]-6-nitro-2,3-dihydro-1,4-benzodioxin IUPAC Name: 7-[bis(5-ethylfuran-2-yl)methyl]-6-nitro-2,3-dihydro-1,4-benzodioxine Traditional Name: 7-[bis(5-ethyl-2-furyl)methyl]-6-nitro-2,3-dihydro-1,4-benzodioxin Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(O1)C(C2=CC=C(O2)CC)C3=CC4=C(C=C3[N+](=O)[O-])OCCO4

Isomeric SMILES

CCC1=CC=C(O1)C(C2=CC=C(O2)CC)C3=CC4=C(C=C3[N+](=O)[O-])OCCO4

InChI

InChI=1S/C21H21NO6/c1-3-13-5-7-17(27-13)21(18-8-6-14(4-2)28-18)15-11-19-20(26-10-9-25-19)12-16(15)22(23)24/h5-8,11-12,21H,3-4,9-10H2,1-2H3