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

Systemtic Name: 5-[5-chloranyl-6-methyl-2,4-bis(oxidanylidene)-1H-pyrimidin-3-yl]-2-cyano-4-fluoranyl-benzoic acid Openeye Name: 5-(5-chloro-6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)-2-cyano-4-fluoro-benzoic acid CAS Name: 5-(5-chloro-6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)-2-cyano-4-fluorobenzoic acid IUPAC Name: 5-(5-chloro-6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)-2-cyano-4-fluorobenzoic acid Traditional Name: 5-(5-chloro-2,4-diketo-6-methyl-1H-pyrimidin-3-yl)-2-cyano-4-fluoro-benzoic acid Formula: C13H7ClFN3O4 MolecularWeight: 323.663783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=O)N1)C2=C(C=C(C(=C2)C(=O)O)C#N)F)Cl

Isomeric SMILES

CC1=C(C(=O)N(C(=O)N1)C2=C(C=C(C(=C2)C(=O)O)C#N)F)Cl

InChI

InChI=1S/C13H7ClFN3O4/c1-5-10(14)11(19)18(13(22)17-5)9-3-7(12(20)21)6(4-16)2-8(9)15/h2-3H,1H3,(H,17,22)(H,20,21)