2-[2-[(4-bromanyl-2-fluoranyl-phenyl)methylcarbamoyl]-4-nitro-phenoxy]ethanoic acid

Systemtic Name: 2-[2-[(4-bromanyl-2-fluoranyl-phenyl)methylcarbamoyl]-4-nitro-phenoxy]ethanoic acid Openeye Name: 2-[2-[(4-bromo-2-fluoro-phenyl)methylcarbamoyl]-4-nitro-phenoxy]acetic acid CAS Name: 2-[2-[[(4-bromo-2-fluorophenyl)methylamino]-oxomethyl]-4-nitrophenoxy]acetic acid IUPAC Name: 2-[2-[(4-bromo-2-fluorophenyl)methylcarbamoyl]-4-nitrophenoxy]acetic acid Traditional Name: 2-[2-[(4-bromo-2-fluoro-benzyl)carbamoyl]-4-nitro-phenoxy]acetic acid Formula: C16H12BrFN2O6 MolecularWeight: 427.178683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)NCC2=C(C=C(C=C2)Br)F)OCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)NCC2=C(C=C(C=C2)Br)F)OCC(=O)O

InChI

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