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

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-(trifluoromethyl)benzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 4-(trifluoromethyl)benzoate CAS Name: 4-(trifluoromethyl)benzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 4-(trifluoromethyl)benzoate Traditional Name: 4-(trifluoromethyl)benzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C14H11F3N2O3 MolecularWeight: 312.24395

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11F3N2O3/c1-8(19)11(6-18)12(20)7-22-13(21)9-2-4-10(5-3-9)14(15,16)17/h2-5H,7,19H2,1H3/b11-8+