(6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-fluorophenyl)-2-propenoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(5-bromo-2-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)acrylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H13BrFNO6 MolecularWeight: 438.201323

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C=CC3=C(C=CC(=C3)Br)F)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)/C=C/C3=C(C=CC(=C3)Br)F)[N+](=O)[O-]

InChI

InChI=1S/C18H13BrFNO6/c19-14-2-3-16(20)11(5-14)1-4-17(22)26-9-13-7-15(21(23)24)6-12-8-25-10-27-18(12)13/h1-7H,8-10H2/b4-1+