1-cyanoethyl 2-cyano-5-[3,4-dimethyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]-4-fluoranyl-benzoate

Systemtic Name: 1-cyanoethyl 2-cyano-5-[3,4-dimethyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]-4-fluoranyl-benzoate Openeye Name: 1-cyanoethyl 2-cyano-5-(3,4-dimethyl-2,6-dioxo-pyrimidin-1-yl)-4-fluoro-benzoate CAS Name: 2-cyano-5-(3,4-dimethyl-2,6-dioxo-1-pyrimidinyl)-4-fluorobenzoic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 2-cyano-5-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-4-fluorobenzoate Traditional Name: 2-cyano-5-(2,6-diketo-3,4-dimethyl-pyrimidin-1-yl)-4-fluoro-benzoic acid 1-cyanoethyl ester Formula: C17H13FN4O4 MolecularWeight: 356.307923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=O)N1C)C2=C(C=C(C(=C2)C(=O)OC(C)C#N)C#N)F

Isomeric SMILES

CC1=CC(=O)N(C(=O)N1C)C2=C(C=C(C(=C2)C(=O)OC(C)C#N)C#N)F

InChI

InChI=1S/C17H13FN4O4/c1-9-4-15(23)22(17(25)21(9)3)14-6-12(11(8-20)5-13(14)18)16(24)26-10(2)7-19/h4-6,10H,1-3H3