tert-butyl 2-[[6-(4-chloranyl-2-fluoranyl-phenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate

Systemtic Name: tert-butyl 2-[[6-(4-chloranyl-2-fluoranyl-phenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[[6-(4-chloro-2-fluoro-phenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[[6-(4-chloro-2-fluorophenoxy)-5-nitro-4-pyrimidinyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-(4-chloro-2-fluorophenoxy)-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[[6-(4-chloro-2-fluoro-phenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C17H18ClFN4O5 MolecularWeight: 412.800023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C)C1=C(C(=NC=N1)OC2=C(C=C(C=C2)Cl)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)CN(C)C1=C(C(=NC=N1)OC2=C(C=C(C=C2)Cl)F)[N+](=O)[O-]

InChI

InChI=1S/C17H18ClFN4O5/c1-17(2,3)28-13(24)8-22(4)15-14(23(25)26)16(21-9-20-15)27-12-6-5-10(18)7-11(12)19/h5-7,9H,8H2,1-4H3