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

Systemtic Name: tert-butyl 2-[2-[(4-bromanyl-2-fluoranyl-phenyl)methylcarbamoyl]-4-nitro-phenoxy]ethanoate Openeye Name: tert-butyl 2-[2-[(4-bromo-2-fluoro-phenyl)methylcarbamoyl]-4-nitro-phenoxy]acetate CAS Name: 2-[2-[[(4-bromo-2-fluorophenyl)methylamino]-oxomethyl]-4-nitrophenoxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-[(4-bromo-2-fluorophenyl)methylcarbamoyl]-4-nitrophenoxy]acetate Traditional Name: 2-[2-[(4-bromo-2-fluoro-benzyl)carbamoyl]-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-])C(=O)NCC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CC(C)(C)OC(=O)COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC2=C(C=C(C=C2)Br)F

InChI

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