5-[2,4-bis(oxidanylidene)-6-propyl-1H-pyrimidin-3-yl]-2-chloranyl-4-fluoranyl-cyclohexa-1,4-diene-1-carboxylate

Systemtic Name: 5-[2,4-bis(oxidanylidene)-6-propyl-1H-pyrimidin-3-yl]-2-chloranyl-4-fluoranyl-cyclohexa-1,4-diene-1-carboxylate Openeye Name: 2-chloro-5-(2,4-dioxo-6-propyl-1H-pyrimidin-3-yl)-4-fluoro-cyclohexa-1,4-diene-1-carboxylate CAS Name: 2-chloro-5-(2,4-dioxo-6-propyl-1H-pyrimidin-3-yl)-4-fluoro-1-cyclohexa-1,4-dienecarboxylate IUPAC Name: 2-chloro-5-(2,4-dioxo-6-propyl-1H-pyrimidin-3-yl)-4-fluorocyclohexa-1,4-diene-1-carboxylate Traditional Name: 2-chloro-5-(2,4-diketo-6-propyl-1H-pyrimidin-3-yl)-4-fluoro-cyclohexa-1,4-diene-1-carboxylate Formula: C14H13ClFN2O4- MolecularWeight: 327.715423

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N(C(=O)N1)C2=C(CC(=C(C2)C(=O)[O-])Cl)F

Isomeric SMILES

CCCC1=CC(=O)N(C(=O)N1)C2=C(CC(=C(C2)C(=O)[O-])Cl)F

InChI

InChI=1S/C14H14ClFN2O4/c1-2-3-7-4-12(19)18(14(22)17-7)11-5-8(13(20)21)9(15)6-10(11)16/h4H,2-3,5-6H2,1H3,(H,17,22)(H,20,21)/p-1