(E)-N-(2,4-dimorpholin-4-ylphenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide

Systemtic Name: (E)-N-(2,4-dimorpholin-4-ylphenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide Openeye Name: (E)-N-(2,4-dimorpholinophenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide CAS Name: (E)-N-[2,4-bis(4-morpholinyl)phenyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-2-propenamide IUPAC Name: (E)-N-(2,4-dimorpholin-4-ylphenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide Traditional Name: (E)-N-(2,4-dimorpholinophenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)acrylamide Formula: C25H28N4O7 MolecularWeight: 496.51242

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=C(C=C2)NC(=O)C=CC3=CC(=CC4=C3OCOC4)[N+](=O)[O-])N5CCOCC5

Isomeric SMILES

C1COCCN1C2=CC(=C(C=C2)NC(=O)/C=C/C3=CC(=CC4=C3OCOC4)[N+](=O)[O-])N5CCOCC5

InChI

InChI=1S/C25H28N4O7/c30-24(4-1-18-13-21(29(31)32)14-19-16-35-17-36-25(18)19)26-22-3-2-20(27-5-9-33-10-6-27)15-23(22)28-7-11-34-12-8-28/h1-4,13-15H,5-12,16-17H2,(H,26,30)/b4-1+