ethyl 4-[8-(dimethylaminomethyl)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-3-yl]oxybenzoate

Systemtic Name: ethyl 4-[8-(dimethylaminomethyl)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-3-yl]oxybenzoate Openeye Name: ethyl 4-[8-(dimethylaminomethyl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-3-yl]oxybenzoate CAS Name: 4-[[8-(dimethylaminomethyl)-7-hydroxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-3-yl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[8-(dimethylaminomethyl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-3-yl]oxybenzoate Traditional Name: 4-[8-(dimethylaminomethyl)-7-hydroxy-4-keto-2-(trifluoromethyl)chromen-3-yl]oxybenzoic acid ethyl ester Formula: C22H20F3NO6 MolecularWeight: 451.39251

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3CN(C)C)O)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3CN(C)C)O)C(F)(F)F

InChI

InChI=1S/C22H20F3NO6/c1-4-30-21(29)12-5-7-13(8-6-12)31-19-17(28)14-9-10-16(27)15(11-26(2)3)18(14)32-20(19)22(23,24)25/h5-10,27H,4,11H2,1-3H3