dimethyl 4-oxidanylidene-5,7-bis(trifluoromethyl)-1H-quinoline-2,3-dicarboxylate

Systemtic Name: dimethyl 4-oxidanylidene-5,7-bis(trifluoromethyl)-1H-quinoline-2,3-dicarboxylate Openeye Name: dimethyl 4-oxo-5,7-bis(trifluoromethyl)-1H-quinoline-2,3-dicarboxylate CAS Name: 4-oxo-5,7-bis(trifluoromethyl)-1H-quinoline-2,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-oxo-5,7-bis(trifluoromethyl)-1H-quinoline-2,3-dicarboxylate Traditional Name: 4-keto-5,7-bis(trifluoromethyl)-1H-quinoline-2,3-dicarboxylic acid dimethyl ester Formula: C15H9F6NO5 MolecularWeight: 397.226079

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC2=CC(=CC(=C2C1=O)C(F)(F)F)C(F)(F)F)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(NC2=CC(=CC(=C2C1=O)C(F)(F)F)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C15H9F6NO5/c1-26-12(24)9-10(13(25)27-2)22-7-4-5(14(16,17)18)3-6(15(19,20)21)8(7)11(9)23/h3-4H,1-2H3,(H,22,23)