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

Systemtic Name: methyl 4-[8-(dimethylaminomethyl)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-3-yl]oxybenzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H18F3NO6 MolecularWeight: 437.36593

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=C(C=C3)C(=O)OC)C(F)(F)F)O

Isomeric SMILES

CN(C)CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=C(C=C3)C(=O)OC)C(F)(F)F)O

InChI

InChI=1S/C21H18F3NO6/c1-25(2)10-14-15(26)9-8-13-16(27)18(19(21(22,23)24)31-17(13)14)30-12-6-4-11(5-7-12)20(28)29-3/h4-9,26H,10H2,1-3H3