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

Systemtic Name: [3-(3-methylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 5-bromanylpyridine-3-carboxylate Openeye Name: [3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [4-keto-3-(3-methylphenoxy)-2-(trifluoromethyl)chromen-7-yl] ester Formula: C23H13BrF3NO5 MolecularWeight: 520.25223

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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

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

InChI

InChI=1S/C23H13BrF3NO5/c1-12-3-2-4-15(7-12)31-20-19(29)17-6-5-16(9-18(17)33-21(20)23(25,26)27)32-22(30)13-8-14(24)11-28-10-13/h2-11H,1H3