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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N(C(=O)N1)C2=C(C=C(C(=C2)C(=O)O)C#N)F)C

Isomeric SMILES

CCC1=C(C(=O)N(C(=O)N1)C2=C(C=C(C(=C2)C(=O)O)C#N)F)C

InChI

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