ethyl 2-[2-(2-chloranyl-4-fluoranyl-3-isocyanato-5-oxidanyl-phenoxy)pyrimidin-4-yl]oxypropanoate

Systemtic Name: ethyl 2-[2-(2-chloranyl-4-fluoranyl-3-isocyanato-5-oxidanyl-phenoxy)pyrimidin-4-yl]oxypropanoate Openeye Name: ethyl 2-[2-(2-chloro-4-fluoro-5-hydroxy-3-isocyanato-phenoxy)pyrimidin-4-yl]oxypropanoate CAS Name: 2-[[2-(2-chloro-4-fluoro-5-hydroxy-3-isocyanatophenoxy)-4-pyrimidinyl]oxy]propanoic acid ethyl ester IUPAC Name: ethyl 2-[2-(2-chloro-4-fluoro-5-hydroxy-3-isocyanatophenoxy)pyrimidin-4-yl]oxypropanoate Traditional Name: 2-[2-(2-chloro-4-fluoro-5-hydroxy-3-isocyanato-phenoxy)pyrimidin-4-yl]oxypropionic acid ethyl ester Formula: C16H13ClFN3O6 MolecularWeight: 397.742323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)OC1=NC(=NC=C1)OC2=C(C(=C(C(=C2)O)F)N=C=O)Cl

Isomeric SMILES

CCOC(=O)C(C)OC1=NC(=NC=C1)OC2=C(C(=C(C(=C2)O)F)N=C=O)Cl

InChI

InChI=1S/C16H13ClFN3O6/c1-3-25-15(24)8(2)26-11-4-5-19-16(21-11)27-10-6-9(23)13(18)14(12(10)17)20-7-22/h4-6,8,23H,3H2,1-2H3