1-cyanoethyl 2-chloranyl-5-[3,4-dimethyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]-4-fluoranyl-benzoate

Systemtic Name: 1-cyanoethyl 2-chloranyl-5-[3,4-dimethyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]-4-fluoranyl-benzoate Openeye Name: 1-cyanoethyl 2-chloro-5-(3,4-dimethyl-2,6-dioxo-pyrimidin-1-yl)-4-fluoro-benzoate CAS Name: 2-chloro-5-(3,4-dimethyl-2,6-dioxo-1-pyrimidinyl)-4-fluorobenzoic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 2-chloro-5-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-4-fluorobenzoate Traditional Name: 2-chloro-5-(2,6-diketo-3,4-dimethyl-pyrimidin-1-yl)-4-fluoro-benzoic acid 1-cyanoethyl ester Formula: C16H13ClFN3O4 MolecularWeight: 365.743523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClFN3O4/c1-8-4-14(22)21(16(24)20(8)3)13-5-10(11(17)6-12(13)18)15(23)25-9(2)7-19/h4-6,9H,1-3H3