(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[[3-(trifluoromethyl)phenyl]amino]benzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[[3-(trifluoromethyl)phenyl]amino]benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-[3-(trifluoromethyl)anilino]benzoate CAS Name: 2-[3-(trifluoromethyl)anilino]benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-[3-(trifluoromethyl)anilino]benzoate Traditional Name: 2-[3-(trifluoromethyl)anilino]benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C20H16F3N3O3 MolecularWeight: 403.35455

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=CC=C1NC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=CC=C1NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C20H16F3N3O3/c1-12(25)16(10-24)18(27)11-29-19(28)15-7-2-3-8-17(15)26-14-6-4-5-13(9-14)20(21,22)23/h2-9,16,25-26H,11H2,1H3