tert-butyl 2-[[6-(5-chloranylpyridin-3-yl)oxy-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate

Systemtic Name: tert-butyl 2-[[6-(5-chloranylpyridin-3-yl)oxy-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[[6-[(5-chloro-3-pyridyl)oxy]-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[[6-[(5-chloro-3-pyridinyl)oxy]-5-nitro-4-pyrimidinyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-(5-chloropyridin-3-yl)oxy-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[[6-[(5-chloro-3-pyridyl)oxy]-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C16H18ClN5O5 MolecularWeight: 395.79762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN5O5/c1-16(2,3)27-12(23)8-21(4)14-13(22(24)25)15(20-9-19-14)26-11-5-10(17)6-18-7-11/h5-7,9H,8H2,1-4H3