[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate CAS Name: 5-[3-(trifluoromethyl)phenyl]-2-furancarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate Traditional Name: 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C17H13F3N2O4 MolecularWeight: 366.29133

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)C2=CC=C(O2)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)C2=CC=C(O2)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C17H13F3N2O4/c18-17(19,20)12-4-1-3-11(9-12)13-5-6-14(26-13)16(24)25-10-15(23)22-8-2-7-21/h1,3-6,9H,2,8,10H2,(H,22,23)