(E)-2-cyano-3-(3,5-dimethoxyphenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(3,5-dimethoxyphenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(3,5-dimethoxyphenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide CAS Name: (E)-2-cyano-3-(3,5-dimethoxyphenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propenamide IUPAC Name: (E)-2-cyano-3-(3,5-dimethoxyphenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(3,5-dimethoxyphenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)acrylamide Formula: C20H17N3O7 MolecularWeight: 411.36488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C=C(C#N)C(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCO3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCO3)OC

InChI

InChI=1S/C20H17N3O7/c1-27-14-6-12(7-15(8-14)28-2)5-13(11-21)20(24)22-16-9-18-19(30-4-3-29-18)10-17(16)23(25)26/h5-10H,3-4H2,1-2H3,(H,22,24)/b13-5+