ethyl 4-oxidanylidene-6-propan-2-yl-2-(trifluoromethyl)-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 4-oxidanylidene-6-propan-2-yl-2-(trifluoromethyl)-1H-quinoline-3-carboxylate Openeye Name: ethyl 6-isopropyl-4-oxo-2-(trifluoromethyl)-1H-quinoline-3-carboxylate CAS Name: 4-oxo-6-propan-2-yl-2-(trifluoromethyl)-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-oxo-6-propan-2-yl-2-(trifluoromethyl)-1H-quinoline-3-carboxylate Traditional Name: 6-isopropyl-4-keto-2-(trifluoromethyl)-1H-quinoline-3-carboxylic acid ethyl ester Formula: C16H16F3NO3 MolecularWeight: 327.29835

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C1=O)C=C(C=C2)C(C)C)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C1=O)C=C(C=C2)C(C)C)C(F)(F)F

InChI

InChI=1S/C16H16F3NO3/c1-4-23-15(22)12-13(21)10-7-9(8(2)3)5-6-11(10)20-14(12)16(17,18)19/h5-8H,4H2,1-3H3,(H,20,21)