methyl 2-[2-(2-chloranyl-4-fluoranyl-5-isocyanato-phenoxy)pyrimidin-4-yl]oxyethanoate

Systemtic Name: methyl 2-[2-(2-chloranyl-4-fluoranyl-5-isocyanato-phenoxy)pyrimidin-4-yl]oxyethanoate Openeye Name: methyl 2-[2-(2-chloro-4-fluoro-5-isocyanato-phenoxy)pyrimidin-4-yl]oxyacetate CAS Name: 2-[[2-(2-chloro-4-fluoro-5-isocyanatophenoxy)-4-pyrimidinyl]oxy]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2-chloro-4-fluoro-5-isocyanatophenoxy)pyrimidin-4-yl]oxyacetate Traditional Name: 2-[2-(2-chloro-4-fluoro-5-isocyanato-phenoxy)pyrimidin-4-yl]oxyacetic acid methyl ester Formula: C14H9ClFN3O5 MolecularWeight: 353.689763

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=NC(=NC=C1)OC2=C(C=C(C(=C2)N=C=O)F)Cl

Isomeric SMILES

COC(=O)COC1=NC(=NC=C1)OC2=C(C=C(C(=C2)N=C=O)F)Cl

InChI

InChI=1S/C14H9ClFN3O5/c1-22-13(21)6-23-12-2-3-17-14(19-12)24-11-5-10(18-7-20)9(16)4-8(11)15/h2-5H,6H2,1H3