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

Systemtic Name: (E)-3-(4-acetamidophenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide Openeye Name: (E)-3-(4-acetamidophenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide CAS Name: (E)-3-(4-acetamidophenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propenamide IUPAC Name: (E)-3-(4-acetamidophenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide Traditional Name: (E)-3-(4-acetamidophenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)acrylamide Formula: C20H16N4O6 MolecularWeight: 408.36424

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCO3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCO3

InChI

InChI=1S/C20H16N4O6/c1-12(25)22-15-4-2-13(3-5-15)8-14(11-21)20(26)23-16-9-18-19(30-7-6-29-18)10-17(16)24(27)28/h2-5,8-10H,6-7H2,1H3,(H,22,25)(H,23,26)/b14-8+