(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate CAS Name: 2-[2-(trifluoromethyl)-1-benzimidazolyl]acetic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate Traditional Name: 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C16H13F3N4O3 MolecularWeight: 366.29463

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)CN1C2=CC=CC=C2N=C1C(F)(F)F

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)CN1C2=CC=CC=C2N=C1C(F)(F)F

InChI

InChI=1S/C16H13F3N4O3/c1-9(21)10(6-20)13(24)8-26-14(25)7-23-12-5-3-2-4-11(12)22-15(23)16(17,18)19/h2-5,10,21H,7-8H2,1H3