diethyl (Z,4E)-3-azanyl-2-cyano-4-[[3-(trifluoromethyl)phenyl]hydrazinylidene]pent-2-enedioate

Systemtic Name: diethyl (Z,4E)-3-azanyl-2-cyano-4-[[3-(trifluoromethyl)phenyl]hydrazinylidene]pent-2-enedioate Openeye Name: diethyl (Z,4E)-3-amino-2-cyano-4-[[3-(trifluoromethyl)phenyl]hydrazono]pent-2-enedioate CAS Name: (Z,4E)-3-amino-2-cyano-4-[[3-(trifluoromethyl)phenyl]hydrazinylidene]-2-pentenedioic acid diethyl ester IUPAC Name: diethyl (Z,4E)-3-amino-2-cyano-4-[[3-(trifluoromethyl)phenyl]hydrazinylidene]pent-2-enedioate Traditional Name: (Z,4E)-3-amino-2-cyano-4-[[3-(trifluoromethyl)phenyl]hydrazono]pent-2-enedioic acid diethyl ester Formula: C17H17F3N4O4 MolecularWeight: 398.33649

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C(=NNC1=CC=CC(=C1)C(F)(F)F)C(=O)OCC)N)C#N

Isomeric SMILES

CCOC(=O)/C(=C(/C(=N\NC1=CC=CC(=C1)C(F)(F)F)/C(=O)OCC)\N)/C#N

InChI

InChI=1S/C17H17F3N4O4/c1-3-27-15(25)12(9-21)13(22)14(16(26)28-4-2)24-23-11-7-5-6-10(8-11)17(18,19)20/h5-8,23H,3-4,22H2,1-2H3/b13-12-,24-14+