ethyl 5-[2-azanyl-6-oxidanylidene-4-(trifluoromethyl)pyrimidin-1-yl]-2-chloranyl-benzoate

Systemtic Name: ethyl 5-[2-azanyl-6-oxidanylidene-4-(trifluoromethyl)pyrimidin-1-yl]-2-chloranyl-benzoate Openeye Name: ethyl 5-[2-amino-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]-2-chloro-benzoate CAS Name: 5-[2-amino-6-oxo-4-(trifluoromethyl)-1-pyrimidinyl]-2-chlorobenzoic acid ethyl ester IUPAC Name: ethyl 5-[2-amino-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]-2-chlorobenzoate Traditional Name: 5-[2-amino-6-keto-4-(trifluoromethyl)pyrimidin-1-yl]-2-chloro-benzoic acid ethyl ester Formula: C14H11ClF3N3O3 MolecularWeight: 361.70365

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)N2C(=O)C=C(N=C2N)C(F)(F)F)Cl

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)N2C(=O)C=C(N=C2N)C(F)(F)F)Cl

InChI

InChI=1S/C14H11ClF3N3O3/c1-2-24-12(23)8-5-7(3-4-9(8)15)21-11(22)6-10(14(16,17)18)20-13(21)19/h3-6H,2H2,1H3,(H2,19,20)