[3-cyano-4-oxidanylidene-4-[[3-(trifluoromethyl)phenyl]amino]but-2-en-2-yl] 4-methylbenzoate

Systemtic Name: [3-cyano-4-oxidanylidene-4-[[3-(trifluoromethyl)phenyl]amino]but-2-en-2-yl] 4-methylbenzoate Openeye Name: [2-cyano-1-methyl-3-oxo-3-[3-(trifluoromethyl)anilino]prop-1-enyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [3-cyano-4-oxo-4-[3-(trifluoromethyl)anilino]but-2-en-2-yl] ester IUPAC Name: [3-cyano-4-oxo-4-[3-(trifluoromethyl)anilino]but-2-en-2-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-cyano-3-keto-1-methyl-3-[3-(trifluoromethyl)anilino]prop-1-enyl] ester Formula: C20H15F3N2O3 MolecularWeight: 388.33991

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC(=C(C#N)C(=O)NC2=CC=CC(=C2)C(F)(F)F)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC(=C(C#N)C(=O)NC2=CC=CC(=C2)C(F)(F)F)C

InChI

InChI=1S/C20H15F3N2O3/c1-12-6-8-14(9-7-12)19(27)28-13(2)17(11-24)18(26)25-16-5-3-4-15(10-16)20(21,22)23/h3-10H,1-2H3,(H,25,26)