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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)N(C(=O)N1)C2=C(C=C(C(=C2)C(=O)O)C#N)F

Isomeric SMILES

CC(C)C1=CC(=O)N(C(=O)N1)C2=C(C=C(C(=C2)C(=O)O)C#N)F

InChI

InChI=1S/C15H12FN3O4/c1-7(2)11-5-13(20)19(15(23)18-11)12-4-9(14(21)22)8(6-17)3-10(12)16/h3-5,7H,1-2H3,(H,18,23)(H,21,22)