[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate CAS Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]benzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate Traditional Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]benzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C20H14F3N3O5S MolecularWeight: 465.40247

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1=CC=CC=C1SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1=CC=CC=C1SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])/N

InChI

InChI=1S/C20H14F3N3O5S/c1-11(25)14(9-24)16(27)10-31-19(28)13-4-2-3-5-17(13)32-18-7-6-12(20(21,22)23)8-15(18)26(29)30/h2-8H,10,25H2,1H3/b14-11+