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

Systemtic Name: ethyl 2-[2-(2-chloranyl-4-fluoranyl-5-isocyanato-phenoxy)pyrimidin-4-yl]oxypropanoate Openeye Name: ethyl 2-[2-(2-chloro-4-fluoro-5-isocyanato-phenoxy)pyrimidin-4-yl]oxypropanoate CAS Name: 2-[[2-(2-chloro-4-fluoro-5-isocyanatophenoxy)-4-pyrimidinyl]oxy]propanoic acid ethyl ester IUPAC Name: ethyl 2-[2-(2-chloro-4-fluoro-5-isocyanatophenoxy)pyrimidin-4-yl]oxypropanoate Traditional Name: 2-[2-(2-chloro-4-fluoro-5-isocyanato-phenoxy)pyrimidin-4-yl]oxypropionic acid ethyl ester Formula: C16H13ClFN3O5 MolecularWeight: 381.742923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClFN3O5/c1-3-24-15(23)9(2)25-14-4-5-19-16(21-14)26-13-7-12(20-8-22)11(18)6-10(13)17/h4-7,9H,3H2,1-2H3