(E)-2-cyano-3-(4-morpholin-4-yl-3-nitro-phenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(4-morpholin-4-yl-3-nitro-phenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(4-morpholino-3-nitro-phenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide CAS Name: (E)-2-cyano-3-[4-(4-morpholinyl)-3-nitrophenyl]-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propenamide IUPAC Name: (E)-2-cyano-3-(4-morpholin-4-yl-3-nitrophenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(4-morpholino-3-nitro-phenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)acrylamide Formula: C22H19N5O8 MolecularWeight: 481.41496

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C=C(C#N)C(=O)NC3=CC4=C(C=C3[N+](=O)[O-])OCCO4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NC3=CC4=C(C=C3[N+](=O)[O-])OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C22H19N5O8/c23-13-15(9-14-1-2-17(19(10-14)27(31)32)25-3-5-33-6-4-25)22(28)24-16-11-20-21(35-8-7-34-20)12-18(16)26(29)30/h1-2,9-12H,3-8H2,(H,24,28)/b15-9+