tert-butyl 2-[[6-(5-fluoranylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate

Systemtic Name: tert-butyl 2-[[6-(5-fluoranylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[[6-[(5-fluoro-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[[6-[(5-fluoro-8-quinolinyl)oxy]-5-nitro-4-pyrimidinyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-(5-fluoroquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[[6-[(5-fluoro-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C20H20FN5O5 MolecularWeight: 429.401703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C)C1=C(C(=NC=N1)OC2=C3C(=C(C=C2)F)C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)CN(C)C1=C(C(=NC=N1)OC2=C3C(=C(C=C2)F)C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C20H20FN5O5/c1-20(2,3)31-15(27)10-25(4)18-17(26(28)29)19(24-11-23-18)30-14-8-7-13(21)12-6-5-9-22-16(12)14/h5-9,11H,10H2,1-4H3