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

Systemtic Name: [3-(4-chlorophenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 5-bromanylpyridine-3-carboxylate Openeye Name: [3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [3-(4-chlorophenyl)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C22H10BrClF3NO4 MolecularWeight: 524.67131

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=CN=C4)Br)C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=CN=C4)Br)C(F)(F)F)Cl

InChI

InChI=1S/C22H10BrClF3NO4/c23-13-7-12(9-28-10-13)21(30)31-15-5-6-16-17(8-15)32-20(22(25,26)27)18(19(16)29)11-1-3-14(24)4-2-11/h1-10H