tert-butyl 2-[[6-[4-chloranyl-2-(1,2-oxazol-5-yl)phenoxy]-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate

Systemtic Name: tert-butyl 2-[[6-[4-chloranyl-2-(1,2-oxazol-5-yl)phenoxy]-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[[6-(4-chloro-2-isoxazol-5-yl-phenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[[6-[4-chloro-2-(5-isoxazolyl)phenoxy]-5-nitro-4-pyrimidinyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[[6-(4-chloro-2-isoxazol-5-yl-phenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C20H20ClN5O6 MolecularWeight: 461.8557

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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)C3=CC=NO3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)CN(C)C1=C(C(=NC=N1)OC2=C(C=C(C=C2)Cl)C3=CC=NO3)[N+](=O)[O-]

InChI

InChI=1S/C20H20ClN5O6/c1-20(2,3)31-16(27)10-25(4)18-17(26(28)29)19(23-11-22-18)30-14-6-5-12(21)9-13(14)15-7-8-24-32-15/h5-9,11H,10H2,1-4H3