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

Systemtic Name: tert-butyl 2-[[6-(2-fluoranyl-6-methoxy-phenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[[6-(2-fluoro-6-methoxy-phenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[[6-(2-fluoro-6-methoxyphenoxy)-5-nitro-4-pyrimidinyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-(2-fluoro-6-methoxyphenoxy)-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[[6-(2-fluoro-6-methoxy-phenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C18H21FN4O6 MolecularWeight: 408.380943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C)C1=C(C(=NC=N1)OC2=C(C=CC=C2F)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)CN(C)C1=C(C(=NC=N1)OC2=C(C=CC=C2F)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H21FN4O6/c1-18(2,3)29-13(24)9-22(4)16-14(23(25)26)17(21-10-20-16)28-15-11(19)7-6-8-12(15)27-5/h6-8,10H,9H2,1-5H3