ethyl 5-[[4-oxidanylidene-7-(trifluoromethyl)quinolin-1-yl]methyl]-1,2-oxazole-3-carboxylate

Systemtic Name: ethyl 5-[[4-oxidanylidene-7-(trifluoromethyl)quinolin-1-yl]methyl]-1,2-oxazole-3-carboxylate Openeye Name: ethyl 5-[[4-oxo-7-(trifluoromethyl)-1-quinolyl]methyl]isoxazole-3-carboxylate CAS Name: 5-[[4-oxo-7-(trifluoromethyl)-1-quinolinyl]methyl]-3-isoxazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[4-oxo-7-(trifluoromethyl)quinolin-1-yl]methyl]-1,2-oxazole-3-carboxylate Traditional Name: 5-[[4-keto-7-(trifluoromethyl)-1-quinolyl]methyl]isoxazole-3-carboxylic acid ethyl ester Formula: C17H13F3N2O4 MolecularWeight: 366.29133

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NOC(=C1)CN2C=CC(=O)C3=C2C=C(C=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=NOC(=C1)CN2C=CC(=O)C3=C2C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H13F3N2O4/c1-2-25-16(24)13-8-11(26-21-13)9-22-6-5-15(23)12-4-3-10(7-14(12)22)17(18,19)20/h3-8H,2,9H2,1H3