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

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-[2-nitro-4-(trifluoromethyl)anilino]acetate CAS Name: 2-[2-nitro-4-(trifluoromethyl)anilino]acetic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-[2-nitro-4-(trifluoromethyl)anilino]acetate Traditional Name: 2-[2-nitro-4-(trifluoromethyl)anilino]acetic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C15H13F3N4O5 MolecularWeight: 386.28273

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)CNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)CNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C15H13F3N4O5/c1-8(20)10(5-19)13(23)7-27-14(24)6-21-11-3-2-9(15(16,17)18)4-12(11)22(25)26/h2-4,10,20-21H,6-7H2,1H3