(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate CAS Name: 5-[3-(trifluoromethyl)phenyl]-2-furancarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate Traditional Name: 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C18H13F3N2O4 MolecularWeight: 378.30203

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=C(O1)C2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=C(O1)C2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C18H13F3N2O4/c1-10(23)13(8-22)14(24)9-26-17(25)16-6-5-15(27-16)11-3-2-4-12(7-11)18(19,20)21/h2-7,13,23H,9H2,1H3