2-cyano-5-[4-ethyl-3-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]-4-fluoranyl-benzoic acid

Systemtic Name: 2-cyano-5-[4-ethyl-3-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]-4-fluoranyl-benzoic acid Openeye Name: 2-cyano-5-(4-ethyl-3-methyl-2,6-dioxo-pyrimidin-1-yl)-4-fluoro-benzoic acid CAS Name: 2-cyano-5-(4-ethyl-3-methyl-2,6-dioxo-1-pyrimidinyl)-4-fluorobenzoic acid IUPAC Name: 2-cyano-5-(4-ethyl-3-methyl-2,6-dioxopyrimidin-1-yl)-4-fluorobenzoic acid Traditional Name: 2-cyano-5-(4-ethyl-2,6-diketo-3-methyl-pyrimidin-1-yl)-4-fluoro-benzoic acid Formula: C15H12FN3O4 MolecularWeight: 317.271883

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N(C(=O)N1C)C2=C(C=C(C(=C2)C(=O)O)C#N)F

Isomeric SMILES

CCC1=CC(=O)N(C(=O)N1C)C2=C(C=C(C(=C2)C(=O)O)C#N)F

InChI

InChI=1S/C15H12FN3O4/c1-3-9-5-13(20)19(15(23)18(9)2)12-6-10(14(21)22)8(7-17)4-11(12)16/h4-6H,3H2,1-2H3,(H,21,22)