3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-5,5-dipropyl-imidazolidine-2,4-dione

Systemtic Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-5,5-dipropyl-imidazolidine-2,4-dione Openeye Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-5,5-dipropyl-imidazolidine-2,4-dione CAS Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-5,5-dipropylimidazolidine-2,4-dione IUPAC Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-5,5-dipropylimidazolidine-2,4-dione Traditional Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-5,5-dipropyl-hydantoin Formula: C18H23N3O6 MolecularWeight: 377.39172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(=O)N(C(=O)N1)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)CCC

Isomeric SMILES

CCCC1(C(=O)N(C(=O)N1)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)CCC

InChI

InChI=1S/C18H23N3O6/c1-3-5-18(6-4-2)16(22)20(17(23)19-18)9-12-7-14(21(24)25)8-13-10-26-11-27-15(12)13/h7-8H,3-6,9-11H2,1-2H3,(H,19,23)