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

Systemtic Name: 2-cyano-5-[3,4-dimethyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]-4-fluoranyl-benzoic acid Openeye Name: 2-cyano-5-(3,4-dimethyl-2,6-dioxo-pyrimidin-1-yl)-4-fluoro-benzoic acid CAS Name: 2-cyano-5-(3,4-dimethyl-2,6-dioxo-1-pyrimidinyl)-4-fluorobenzoic acid IUPAC Name: 2-cyano-5-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-4-fluorobenzoic acid Traditional Name: 2-cyano-5-(2,6-diketo-3,4-dimethyl-pyrimidin-1-yl)-4-fluoro-benzoic acid Formula: C14H10FN3O4 MolecularWeight: 303.245303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=O)N1C)C2=C(C=C(C(=C2)C(=O)O)C#N)F

Isomeric SMILES

CC1=CC(=O)N(C(=O)N1C)C2=C(C=C(C(=C2)C(=O)O)C#N)F

InChI

InChI=1S/C14H10FN3O4/c1-7-3-12(19)18(14(22)17(7)2)11-5-9(13(20)21)8(6-16)4-10(11)15/h3-5H,1-2H3,(H,20,21)