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

Systemtic Name: 2-cyano-5-[4-ethyl-3,5-dimethyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]-4-fluoranyl-benzoic acid Openeye Name: 2-cyano-5-(4-ethyl-3,5-dimethyl-2,6-dioxo-pyrimidin-1-yl)-4-fluoro-benzoic acid CAS Name: 2-cyano-5-(4-ethyl-3,5-dimethyl-2,6-dioxo-1-pyrimidinyl)-4-fluorobenzoic acid IUPAC Name: 2-cyano-5-(4-ethyl-3,5-dimethyl-2,6-dioxopyrimidin-1-yl)-4-fluorobenzoic acid Traditional Name: 2-cyano-5-(4-ethyl-2,6-diketo-3,5-dimethyl-pyrimidin-1-yl)-4-fluoro-benzoic acid Formula: C16H14FN3O4 MolecularWeight: 331.298463

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N(C(=O)N1C)C2=C(C=C(C(=C2)C(=O)O)C#N)F)C

Isomeric SMILES

CCC1=C(C(=O)N(C(=O)N1C)C2=C(C=C(C(=C2)C(=O)O)C#N)F)C

InChI

InChI=1S/C16H14FN3O4/c1-4-12-8(2)14(21)20(16(24)19(12)3)13-6-10(15(22)23)9(7-18)5-11(13)17/h5-6H,4H2,1-3H3,(H,22,23)