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

Systemtic Name: 2-cyano-5-[3,5-dimethyl-2,6-bis(oxidanylidene)-4-propan-2-yl-pyrimidin-1-yl]-4-fluoranyl-benzoic acid Openeye Name: 2-cyano-4-fluoro-5-(4-isopropyl-3,5-dimethyl-2,6-dioxo-pyrimidin-1-yl)benzoic acid CAS Name: 2-cyano-5-(3,5-dimethyl-2,6-dioxo-4-propan-2-yl-1-pyrimidinyl)-4-fluorobenzoic acid IUPAC Name: 2-cyano-5-(3,5-dimethyl-2,6-dioxo-4-propan-2-ylpyrimidin-1-yl)-4-fluorobenzoic acid Traditional Name: 2-cyano-4-fluoro-5-(4-isopropyl-2,6-diketo-3,5-dimethyl-pyrimidin-1-yl)benzoic acid Formula: C17H16FN3O4 MolecularWeight: 345.325043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16FN3O4/c1-8(2)14-9(3)15(22)21(17(25)20(14)4)13-6-11(16(23)24)10(7-19)5-12(13)18/h5-6,8H,1-4H3,(H,23,24)