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

Systemtic Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-5-phenyl-5-propyl-imidazolidine-2,4-dione Openeye Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-5-phenyl-5-propyl-imidazolidine-2,4-dione CAS Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione IUPAC Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione Traditional Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-5-phenyl-5-propyl-hydantoin Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(=O)N(C(=O)N1)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C4=CC=CC=C4

Isomeric SMILES

CCCC1(C(=O)N(C(=O)N1)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O6/c1-2-8-21(16-6-4-3-5-7-16)19(25)23(20(26)22-21)11-14-9-17(24(27)28)10-15-12-29-13-30-18(14)15/h3-7,9-10H,2,8,11-13H2,1H3,(H,22,26)