tert-butyl 2-[2-[2-(4-bromanyl-2-fluoranyl-phenyl)ethanoylamino]-4-nitro-phenoxy]ethanoate

Systemtic Name: tert-butyl 2-[2-[2-(4-bromanyl-2-fluoranyl-phenyl)ethanoylamino]-4-nitro-phenoxy]ethanoate Openeye Name: tert-butyl 2-[2-[[2-(4-bromo-2-fluoro-phenyl)acetyl]amino]-4-nitro-phenoxy]acetate CAS Name: 2-[2-[[2-(4-bromo-2-fluorophenyl)-1-oxoethyl]amino]-4-nitrophenoxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-[[2-(4-bromo-2-fluorophenyl)acetyl]amino]-4-nitrophenoxy]acetate Traditional Name: 2-[2-[[2-(4-bromo-2-fluoro-phenyl)acetyl]amino]-4-nitro-phenoxy]acetic acid tert-butyl ester Formula: C20H20BrFN2O6 MolecularWeight: 483.285003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CC(C)(C)OC(=O)COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C20H20BrFN2O6/c1-20(2,3)30-19(26)11-29-17-7-6-14(24(27)28)10-16(17)23-18(25)8-12-4-5-13(21)9-15(12)22/h4-7,9-10H,8,11H2,1-3H3,(H,23,25)