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

Systemtic Name: [4-[2-cyano-3-oxidanylidene-3-[[2-(trifluoromethyl)phenyl]amino]prop-1-enyl]phenyl] 4-methoxybenzoate Openeye Name: [4-[2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [4-[2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]phenyl] ester IUPAC Name: [4-[2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]phenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-[2-cyano-3-keto-3-[2-(trifluoromethyl)anilino]prop-1-enyl]phenyl] ester Formula: C25H17F3N2O4 MolecularWeight: 466.40869

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C25H17F3N2O4/c1-33-19-12-8-17(9-13-19)24(32)34-20-10-6-16(7-11-20)14-18(15-29)23(31)30-22-5-3-2-4-21(22)25(26,27)28/h2-14H,1H3,(H,30,31)