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

Systemtic Name: (E)-2-benzamido-3-[4-(2-bromanylphenoxy)-3-fluoranyl-phenyl]prop-2-enoic acid Openeye Name: (E)-2-benzamido-3-[4-(2-bromophenoxy)-3-fluoro-phenyl]prop-2-enoic acid CAS Name: (E)-2-benzamido-3-[4-(2-bromophenoxy)-3-fluorophenyl]-2-propenoic acid IUPAC Name: (E)-2-benzamido-3-[4-(2-bromophenoxy)-3-fluorophenyl]prop-2-enoic acid Traditional Name: (E)-2-benzamido-3-[4-(2-bromophenoxy)-3-fluoro-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=CC=CC=C3Br)F)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC(=C(C=C2)OC3=CC=CC=C3Br)F)/C(=O)O

InChI

InChI=1S/C22H15BrFNO4/c23-16-8-4-5-9-19(16)29-20-11-10-14(12-17(20)24)13-18(22(27)28)25-21(26)15-6-2-1-3-7-15/h1-13H,(H,25,26)(H,27,28)/b18-13+