2-chloranyl-5-(5-cyano-6-methyl-pyrimidin-4-yl)-4-fluoranyl-benzoate

Systemtic Name: 2-chloranyl-5-(5-cyano-6-methyl-pyrimidin-4-yl)-4-fluoranyl-benzoate Openeye Name: 2-chloro-5-(5-cyano-6-methyl-pyrimidin-4-yl)-4-fluoro-benzoate CAS Name: 2-chloro-5-(5-cyano-6-methyl-4-pyrimidinyl)-4-fluorobenzoate IUPAC Name: 2-chloro-5-(5-cyano-6-methylpyrimidin-4-yl)-4-fluorobenzoate Traditional Name: 2-chloro-5-(5-cyano-6-methyl-pyrimidin-4-yl)-4-fluoro-benzoate Formula: C13H6ClFN3O2- MolecularWeight: 290.657043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=NC(=C1C#N)C2=CC(=C(C=C2F)Cl)C(=O)[O-]

Isomeric SMILES

CC1=NC=NC(=C1C#N)C2=CC(=C(C=C2F)Cl)C(=O)[O-]

InChI

InChI=1S/C13H7ClFN3O2/c1-6-9(4-16)12(18-5-17-6)8-2-7(13(19)20)10(14)3-11(8)15/h2-3,5H,1H3,(H,19,20)/p-1