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

Systemtic Name: 5-[5-chloranyl-3,4-dimethyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]-2-cyano-4-fluoranyl-benzoic acid Openeye Name: 5-(5-chloro-3,4-dimethyl-2,6-dioxo-pyrimidin-1-yl)-2-cyano-4-fluoro-benzoic acid CAS Name: 5-(5-chloro-3,4-dimethyl-2,6-dioxo-1-pyrimidinyl)-2-cyano-4-fluorobenzoic acid IUPAC Name: 5-(5-chloro-3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-2-cyano-4-fluorobenzoic acid Traditional Name: 5-(5-chloro-2,6-diketo-3,4-dimethyl-pyrimidin-1-yl)-2-cyano-4-fluoro-benzoic acid Formula: C14H9ClFN3O4 MolecularWeight: 337.690363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=O)N1C)C2=C(C=C(C(=C2)C(=O)O)C#N)F)Cl

Isomeric SMILES

CC1=C(C(=O)N(C(=O)N1C)C2=C(C=C(C(=C2)C(=O)O)C#N)F)Cl

InChI

InChI=1S/C14H9ClFN3O4/c1-6-11(15)12(20)19(14(23)18(6)2)10-4-8(13(21)22)7(5-17)3-9(10)16/h3-4H,1-2H3,(H,21,22)