2-[4-bromanyl-5-fluoranyl-2-[2-(3-nitrophenyl)ethanoylamino]phenoxy]ethanoic acid

Systemtic Name: 2-[4-bromanyl-5-fluoranyl-2-[2-(3-nitrophenyl)ethanoylamino]phenoxy]ethanoic acid Openeye Name: 2-[4-bromo-5-fluoro-2-[[2-(3-nitrophenyl)acetyl]amino]phenoxy]acetic acid CAS Name: 2-[4-bromo-5-fluoro-2-[[2-(3-nitrophenyl)-1-oxoethyl]amino]phenoxy]acetic acid IUPAC Name: 2-[4-bromo-5-fluoro-2-[[2-(3-nitrophenyl)acetyl]amino]phenoxy]acetic acid Traditional Name: 2-[4-bromo-5-fluoro-2-[[2-(3-nitrophenyl)acetyl]amino]phenoxy]acetic acid Formula: C16H12BrFN2O6 MolecularWeight: 427.178683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CC(=O)NC2=CC(=C(C=C2OCC(=O)O)F)Br

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CC(=O)NC2=CC(=C(C=C2OCC(=O)O)F)Br

InChI

InChI=1S/C16H12BrFN2O6/c17-11-6-13(14(7-12(11)18)26-8-16(22)23)19-15(21)5-9-2-1-3-10(4-9)20(24)25/h1-4,6-7H,5,8H2,(H,19,21)(H,22,23)