IUPAC Name :methyl(E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate
InChI :InChI=1/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+
Std.InChI: InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+
InChIKey :WFDXOXNFNRHQEC-GHRIWEEIBD
Std.InChIKey: WFDXOXNFNRHQEC-GHRIWEEISA-N
SMILES :CO/C=C(\C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N)/C(=O)OC
MDL: MFCD08277047
Molar Refractivity :106.24 ± 0.4 cm3 (est)
Parachor :857.2 ± 6.0 cm3 (est)
Index of Refraction :1.626 ± 0.03
(est)
Surface Tension :66.5 ± 5.0 dyne/cm (est)
Density :1.34 ± 0.1 g/cm3 (est)
Polarizability :42.11 ± 0.5 10-24cm3 (est)