ethyl 3-[[3-chloranyl-2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]methyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[3-chloranyl-2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]methyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridyl]methyl]benzofuran-2-carboxylate CAS Name: 3-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[3-chloro-2-oxo-5-(trifluoromethyl)pyridin-1-yl]methyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[3-chloro-2-keto-5-(trifluoromethyl)-1-pyridyl]methyl]coumarilic acid ethyl ester Formula: C18H13ClF3NO4 MolecularWeight: 399.74833

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CN3C=C(C=C(C3=O)Cl)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CN3C=C(C=C(C3=O)Cl)C(F)(F)F

InChI

InChI=1S/C18H13ClF3NO4/c1-2-26-17(25)15-12(11-5-3-4-6-14(11)27-15)9-23-8-10(18(20,21)22)7-13(19)16(23)24/h3-8H,2,9H2,1H3