2-[2-(4-bromanyl-2-fluoranyl-phenoxy)ethanoylamino]terephthalic acid

Systemtic Name: 2-[2-(4-bromanyl-2-fluoranyl-phenoxy)ethanoylamino]terephthalic acid Openeye Name: 2-[[2-(4-bromo-2-fluoro-phenoxy)acetyl]amino]terephthalic acid CAS Name: 2-[[2-(4-bromo-2-fluorophenoxy)-1-oxoethyl]amino]terephthalic acid IUPAC Name: 2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]terephthalic acid Traditional Name: 2-[[2-(4-bromo-2-fluoro-phenoxy)acetyl]amino]terephthalic acid Formula: C16H11BrFNO6 MolecularWeight: 412.164043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)NC(=O)COC2=C(C=C(C=C2)Br)F)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)NC(=O)COC2=C(C=C(C=C2)Br)F)C(=O)O

InChI

InChI=1S/C16H11BrFNO6/c17-9-2-4-13(11(18)6-9)25-7-14(20)19-12-5-8(15(21)22)1-3-10(12)16(23)24/h1-6H,7H2,(H,19,20)(H,21,22)(H,23,24)