2-[[2-(2-bromanyl-4-fluoranyl-phenoxy)ethanoylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[2-(2-bromanyl-4-fluoranyl-phenoxy)ethanoylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[2-(2-bromo-4-fluoro-phenoxy)acetyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[2-(2-bromo-4-fluorophenoxy)-1-oxoethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[2-(2-bromo-4-fluoro-phenoxy)acetyl]amino]methyl]-4-nitro-phenolate Formula: C15H11BrFN2O5- MolecularWeight: 398.160643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])CNC(=O)COC2=C(C=C(C=C2)F)Br)[O-]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])CNC(=O)COC2=C(C=C(C=C2)F)Br)[O-]

InChI

InChI=1S/C15H12BrFN2O5/c16-12-6-10(17)1-4-14(12)24-8-15(21)18-7-9-5-11(19(22)23)2-3-13(9)20/h1-6,20H,7-8H2,(H,18,21)/p-1