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

Systemtic Name: (E)-3-(3-bromanyl-4-fluoranyl-phenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide Openeye Name: (E)-3-(3-bromo-4-fluoro-phenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide CAS Name: (E)-3-(3-bromo-4-fluorophenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propenamide IUPAC Name: (E)-3-(3-bromo-4-fluorophenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide Traditional Name: (E)-3-(3-bromo-4-fluoro-phenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)acrylamide Formula: C18H11BrFN3O5 MolecularWeight: 448.199443

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])NC(=O)C(=CC3=CC(=C(C=C3)F)Br)C#N

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])NC(=O)/C(=C/C3=CC(=C(C=C3)F)Br)/C#N

InChI

InChI=1S/C18H11BrFN3O5/c19-12-6-10(1-2-13(12)20)5-11(9-21)18(24)22-14-7-16-17(28-4-3-27-16)8-15(14)23(25)26/h1-2,5-8H,3-4H2,(H,22,24)/b11-5+