2-[[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]amino]terephthalic acid

Systemtic Name: 2-[[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]amino]terephthalic acid Openeye Name: 2-[[(E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoyl]amino]terephthalic acid CAS Name: 2-[[(E)-3-(5-bromo-2-fluorophenyl)-1-oxoprop-2-enyl]amino]terephthalic acid IUPAC Name: 2-[[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]amino]terephthalic acid Traditional Name: 2-[[(E)-3-(5-bromo-2-fluoro-phenyl)acryloyl]amino]terephthalic acid Formula: C17H11BrFNO5 MolecularWeight: 408.175343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)NC(=O)C=CC2=C(C=CC(=C2)Br)F)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H11BrFNO5/c18-11-3-5-13(19)9(7-11)2-6-15(21)20-14-8-10(16(22)23)1-4-12(14)17(24)25/h1-8H,(H,20,21)(H,22,23)(H,24,25)/b6-2+