[2-[(3-cyano-4,5-dimethyl-furan-2-yl)amino]-2-oxidanylidene-ethyl] 4-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: [2-[(3-cyano-4,5-dimethyl-furan-2-yl)amino]-2-oxidanylidene-ethyl] 4-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: [2-[(3-cyano-4,5-dimethyl-2-furyl)amino]-2-oxo-ethyl] 4-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-(trifluoromethyl)-3-quinolinecarboxylic acid [2-[(3-cyano-4,5-dimethyl-2-furanyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl] 4-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-(trifluoromethyl)quinoline-3-carboxylic acid [2-[(3-cyano-4,5-dimethyl-2-furyl)amino]-2-keto-ethyl] ester Formula: C20H14F3N3O4 MolecularWeight: 417.33807

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1C#N)NC(=O)COC(=O)C2=C(C3=CC=CC=C3N=C2)C(F)(F)F)C

Isomeric SMILES

CC1=C(OC(=C1C#N)NC(=O)COC(=O)C2=C(C3=CC=CC=C3N=C2)C(F)(F)F)C

InChI

InChI=1S/C20H14F3N3O4/c1-10-11(2)30-18(13(10)7-24)26-16(27)9-29-19(28)14-8-25-15-6-4-3-5-12(15)17(14)20(21,22)23/h3-6,8H,9H2,1-2H3,(H,26,27)