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

Systemtic Name: (E)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-pentoxyphenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-pentoxyphenyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-pentoxyphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-pentoxyphenyl)prop-2-enamide Traditional Name: (E)-3-(4-amoxyphenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)acrylamide Formula: C23H23N3O6 MolecularWeight: 437.44522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCO3

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCO3

InChI

InChI=1S/C23H23N3O6/c1-2-3-4-9-30-18-7-5-16(6-8-18)12-17(15-24)23(27)25-19-13-21-22(32-11-10-31-21)14-20(19)26(28)29/h5-8,12-14H,2-4,9-11H2,1H3,(H,25,27)/b17-12+