tert-butyl 2-[[6-(4-cyano-3-fluoranyl-phenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate

Systemtic Name: tert-butyl 2-[[6-(4-cyano-3-fluoranyl-phenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[[6-(4-cyano-3-fluoro-phenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[[6-(4-cyano-3-fluorophenoxy)-5-nitro-4-pyrimidinyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-(4-cyano-3-fluorophenoxy)-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[[6-(4-cyano-3-fluoro-phenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C18H18FN5O5 MolecularWeight: 403.364423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18FN5O5/c1-18(2,3)29-14(25)9-23(4)16-15(24(26)27)17(22-10-21-16)28-12-6-5-11(8-20)13(19)7-12/h5-7,10H,9H2,1-4H3