(E)-3-(6-ethoxy-2,3-dimethyl-1-benzofuran-5-yl)-N-(4-fluoranyl-3-nitro-phenyl)but-2-enamide

Systemtic Name: (E)-3-(6-ethoxy-2,3-dimethyl-1-benzofuran-5-yl)-N-(4-fluoranyl-3-nitro-phenyl)but-2-enamide Openeye Name: (E)-3-(6-ethoxy-2,3-dimethyl-benzofuran-5-yl)-N-(4-fluoro-3-nitro-phenyl)but-2-enamide CAS Name: (E)-3-(6-ethoxy-2,3-dimethyl-5-benzofuranyl)-N-(4-fluoro-3-nitrophenyl)-2-butenamide IUPAC Name: (E)-3-(6-ethoxy-2,3-dimethyl-1-benzofuran-5-yl)-N-(4-fluoro-3-nitrophenyl)but-2-enamide Traditional Name: (E)-3-(6-ethoxy-2,3-dimethyl-benzofuran-5-yl)-N-(4-fluoro-3-nitro-phenyl)but-2-enamide Formula: C22H21FN2O5 MolecularWeight: 412.410943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C(OC2=C1)C)C)C(=CC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])C

Isomeric SMILES

CCOC1=C(C=C2C(=C(OC2=C1)C)C)/C(=C/C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])/C

InChI

InChI=1S/C22H21FN2O5/c1-5-29-20-11-21-17(13(3)14(4)30-21)10-16(20)12(2)8-22(26)24-15-6-7-18(23)19(9-15)25(27)28/h6-11H,5H2,1-4H3,(H,24,26)/b12-8+