4-[(E)-2-cyano-3-oxidanylidene-3-[[3-(trifluoromethyl)phenyl]amino]prop-1-enyl]benzoate

Systemtic Name: 4-[(E)-2-cyano-3-oxidanylidene-3-[[3-(trifluoromethyl)phenyl]amino]prop-1-enyl]benzoate Openeye Name: 4-[(E)-2-cyano-3-oxo-3-[3-(trifluoromethyl)anilino]prop-1-enyl]benzoate CAS Name: 4-[(E)-2-cyano-3-oxo-3-[3-(trifluoromethyl)anilino]prop-1-enyl]benzoate IUPAC Name: 4-[(E)-2-cyano-3-oxo-3-[3-(trifluoromethyl)anilino]prop-1-enyl]benzoate Traditional Name: 4-[(E)-2-cyano-3-keto-3-[3-(trifluoromethyl)anilino]prop-1-enyl]benzoate Formula: C18H10F3N2O3- MolecularWeight: 359.27881

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C(=CC2=CC=C(C=C2)C(=O)[O-])C#N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)/C(=C/C2=CC=C(C=C2)C(=O)[O-])/C#N)C(F)(F)F

InChI

InChI=1S/C18H11F3N2O3/c19-18(20,21)14-2-1-3-15(9-14)23-16(24)13(10-22)8-11-4-6-12(7-5-11)17(25)26/h1-9H,(H,23,24)(H,25,26)/p-1/b13-8+