[3-(3,5-dimethylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [3-(3,5-dimethylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 5-bromanylpyridine-3-carboxylate Openeye Name: [3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [3-(3,5-dimethylphenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C24H15BrF3NO5 MolecularWeight: 534.27881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=CN=C4)Br)C(F)(F)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=CN=C4)Br)C(F)(F)F)C

InChI

InChI=1S/C24H15BrF3NO5/c1-12-5-13(2)7-17(6-12)32-21-20(30)18-4-3-16(9-19(18)34-22(21)24(26,27)28)33-23(31)14-8-15(25)11-29-10-14/h3-11H,1-2H3