3-[[3-ethyl-2,6-bis(oxidanylidene)-5-(trifluoromethyl)pyrimidin-4-yl]-oxidanyl-methyl]-5-methyl-benzenecarbonitrile

Systemtic Name: 3-[[3-ethyl-2,6-bis(oxidanylidene)-5-(trifluoromethyl)pyrimidin-4-yl]-oxidanyl-methyl]-5-methyl-benzenecarbonitrile Openeye Name: 3-[[3-ethyl-2,6-dioxo-5-(trifluoromethyl)pyrimidin-4-yl]-hydroxy-methyl]-5-methyl-benzonitrile CAS Name: 3-[[3-ethyl-2,6-dioxo-5-(trifluoromethyl)-4-pyrimidinyl]-hydroxymethyl]-5-methylbenzonitrile IUPAC Name: 3-[[3-ethyl-2,6-dioxo-5-(trifluoromethyl)pyrimidin-4-yl]-hydroxymethyl]-5-methylbenzonitrile Traditional Name: 3-[[3-ethyl-2,6-diketo-5-(trifluoromethyl)pyrimidin-4-yl]-hydroxy-methyl]-5-methyl-benzonitrile Formula: C16H14F3N3O3 MolecularWeight: 353.29587

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=O)NC1=O)C(F)(F)F)C(C2=CC(=CC(=C2)C)C#N)O

Isomeric SMILES

CCN1C(=C(C(=O)NC1=O)C(F)(F)F)C(C2=CC(=CC(=C2)C)C#N)O

InChI

InChI=1S/C16H14F3N3O3/c1-3-22-12(11(16(17,18)19)14(24)21-15(22)25)13(23)10-5-8(2)4-9(6-10)7-20/h4-6,13,23H,3H2,1-2H3,(H,21,24,25)