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

Systemtic Name: (E)-3-(3-bromanyl-4-fluoranyl-phenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide Openeye Name: (E)-3-(3-bromo-4-fluoro-phenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide CAS Name: (E)-3-(3-bromo-4-fluorophenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propenamide IUPAC Name: (E)-3-(3-bromo-4-fluorophenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide Traditional Name: (E)-3-(3-bromo-4-fluoro-phenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acrylamide Formula: C18H12BrFN2O3 MolecularWeight: 403.201883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12BrFN2O3/c19-14-8-11(1-3-15(14)20)7-12(10-21)18(23)22-13-2-4-16-17(9-13)25-6-5-24-16/h1-4,7-9H,5-6H2,(H,22,23)/b12-7+