(E)-2-benzamido-3-[4-(2-bromanyl-4-fluoranyl-phenoxy)phenyl]prop-2-enoic acid

Systemtic Name: (E)-2-benzamido-3-[4-(2-bromanyl-4-fluoranyl-phenoxy)phenyl]prop-2-enoic acid Openeye Name: (E)-2-benzamido-3-[4-(2-bromo-4-fluoro-phenoxy)phenyl]prop-2-enoic acid CAS Name: (E)-2-benzamido-3-[4-(2-bromo-4-fluorophenoxy)phenyl]-2-propenoic acid IUPAC Name: (E)-2-benzamido-3-[4-(2-bromo-4-fluorophenoxy)phenyl]prop-2-enoic acid Traditional Name: (E)-2-benzamido-3-[4-(2-bromo-4-fluoro-phenoxy)phenyl]acrylic acid Formula: C22H15BrFNO4 MolecularWeight: 456.261203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)OC3=C(C=C(C=C3)F)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(C=C2)OC3=C(C=C(C=C3)F)Br)/C(=O)O

InChI

InChI=1S/C22H15BrFNO4/c23-18-13-16(24)8-11-20(18)29-17-9-6-14(7-10-17)12-19(22(27)28)25-21(26)15-4-2-1-3-5-15/h1-13H,(H,25,26)(H,27,28)/b19-12+