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

Systemtic Name: (E)-2-cyano-3-(4-methoxy-3-propoxy-phenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(4-methoxy-3-propoxy-phenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide CAS Name: (E)-2-cyano-3-(4-methoxy-3-propoxyphenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propenamide IUPAC Name: (E)-2-cyano-3-(4-methoxy-3-propoxyphenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(4-methoxy-3-propoxy-phenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)acrylamide Formula: C22H21N3O7 MolecularWeight: 439.41804

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCO3)OC

Isomeric SMILES

CCCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCO3)OC

InChI

InChI=1S/C22H21N3O7/c1-3-6-30-19-10-14(4-5-18(19)29-2)9-15(13-23)22(26)24-16-11-20-21(32-8-7-31-20)12-17(16)25(27)28/h4-5,9-12H,3,6-8H2,1-2H3,(H,24,26)/b15-9+