methyl (E)-3-[2-cyano-5-[3,5-dimethyl-2,6-bis(oxidanylidene)-4-(trifluoromethyl)pyrimidin-1-yl]-4-fluoranyl-phenyl]prop-2-enoate

Systemtic Name: methyl (E)-3-[2-cyano-5-[3,5-dimethyl-2,6-bis(oxidanylidene)-4-(trifluoromethyl)pyrimidin-1-yl]-4-fluoranyl-phenyl]prop-2-enoate Openeye Name: methyl (E)-3-[2-cyano-5-[3,5-dimethyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-4-fluoro-phenyl]prop-2-enoate CAS Name: (E)-3-[2-cyano-5-[3,5-dimethyl-2,6-dioxo-4-(trifluoromethyl)-1-pyrimidinyl]-4-fluorophenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[2-cyano-5-[3,5-dimethyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-4-fluorophenyl]prop-2-enoate Traditional Name: (E)-3-[2-cyano-5-[2,6-diketo-3,5-dimethyl-4-(trifluoromethyl)pyrimidin-1-yl]-4-fluoro-phenyl]acrylic acid methyl ester Formula: C18H13F4N3O4 MolecularWeight: 411.307133

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=O)N(C1=O)C2=C(C=C(C(=C2)C=CC(=O)OC)C#N)F)C)C(F)(F)F

Isomeric SMILES

CC1=C(N(C(=O)N(C1=O)C2=C(C=C(C(=C2)/C=C/C(=O)OC)C#N)F)C)C(F)(F)F

InChI

InChI=1S/C18H13F4N3O4/c1-9-15(18(20,21)22)24(2)17(28)25(16(9)27)13-7-10(4-5-14(26)29-3)11(8-23)6-12(13)19/h4-7H,1-3H3/b5-4+