2-[5-cyano-2,4-bis(oxidanylidene)pyrimidin-1-yl]ethyl 3-(trifluoromethyl)benzoate

Systemtic Name: 2-[5-cyano-2,4-bis(oxidanylidene)pyrimidin-1-yl]ethyl 3-(trifluoromethyl)benzoate Openeye Name: 2-(5-cyano-2,4-dioxo-pyrimidin-1-yl)ethyl 3-(trifluoromethyl)benzoate CAS Name: 3-(trifluoromethyl)benzoic acid 2-(5-cyano-2,4-dioxo-1-pyrimidinyl)ethyl ester IUPAC Name: 2-(5-cyano-2,4-dioxopyrimidin-1-yl)ethyl 3-(trifluoromethyl)benzoate Traditional Name: 3-(trifluoromethyl)benzoic acid 2-(5-cyano-2,4-diketo-pyrimidin-1-yl)ethyl ester Formula: C15H10F3N3O4 MolecularWeight: 353.25281

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)C(=O)OCCN2C=C(C(=O)NC2=O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)C(=O)OCCN2C=C(C(=O)NC2=O)C#N

InChI

InChI=1S/C15H10F3N3O4/c16-15(17,18)11-3-1-2-9(6-11)13(23)25-5-4-21-8-10(7-19)12(22)20-14(21)24/h1-3,6,8H,4-5H2,(H,20,22,24)