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

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-[3-(trifluoromethyl)phenyl]ethanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-[3-(trifluoromethyl)phenyl]acetate CAS Name: 2-[3-(trifluoromethyl)phenyl]acetic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-[3-(trifluoromethyl)phenyl]acetate Traditional Name: 2-[3-(trifluoromethyl)phenyl]acetic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C15H13F3N2O3 MolecularWeight: 326.27053

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)CC1=CC(=CC=C1)C(F)(F)F)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)CC1=CC(=CC=C1)C(F)(F)F)/N

InChI

InChI=1S/C15H13F3N2O3/c1-9(20)12(7-19)13(21)8-23-14(22)6-10-3-2-4-11(5-10)15(16,17)18/h2-5H,6,8,20H2,1H3/b12-9+