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

Systemtic Name: 2-cyano-4-fluoranyl-5-[5-methyl-2,4-bis(oxidanylidene)-6-propan-2-yl-1H-pyrimidin-3-yl]benzoic acid Openeye Name: 2-cyano-4-fluoro-5-(6-isopropyl-5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)benzoic acid CAS Name: 2-cyano-4-fluoro-5-(5-methyl-2,4-dioxo-6-propan-2-yl-1H-pyrimidin-3-yl)benzoic acid IUPAC Name: 2-cyano-4-fluoro-5-(5-methyl-2,4-dioxo-6-propan-2-yl-1H-pyrimidin-3-yl)benzoic acid Traditional Name: 2-cyano-4-fluoro-5-(6-isopropyl-2,4-diketo-5-methyl-1H-pyrimidin-3-yl)benzoic acid Formula: C16H14FN3O4 MolecularWeight: 331.298463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=O)N(C1=O)C2=C(C=C(C(=C2)C(=O)O)C#N)F)C(C)C

Isomeric SMILES

CC1=C(NC(=O)N(C1=O)C2=C(C=C(C(=C2)C(=O)O)C#N)F)C(C)C

InChI

InChI=1S/C16H14FN3O4/c1-7(2)13-8(3)14(21)20(16(24)19-13)12-5-10(15(22)23)9(6-18)4-11(12)17/h4-5,7H,1-3H3,(H,19,24)(H,22,23)