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

Systemtic Name: 2-[4-bromanyl-5-fluoranyl-2-[(3-nitrophenyl)methylcarbamoyl]phenoxy]ethanoic acid Openeye Name: 2-[4-bromo-5-fluoro-2-[(3-nitrophenyl)methylcarbamoyl]phenoxy]acetic acid CAS Name: 2-[4-bromo-5-fluoro-2-[[(3-nitrophenyl)methylamino]-oxomethyl]phenoxy]acetic acid IUPAC Name: 2-[4-bromo-5-fluoro-2-[(3-nitrophenyl)methylcarbamoyl]phenoxy]acetic acid Traditional Name: 2-[4-bromo-5-fluoro-2-[(3-nitrobenzyl)carbamoyl]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-])CNC(=O)C2=CC(=C(C=C2OCC(=O)O)F)Br

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CNC(=O)C2=CC(=C(C=C2OCC(=O)O)F)Br

InChI

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