[3-(4-tert-butylphenoxy)-4-oxidanylidene-chromen-7-yl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [3-(4-tert-butylphenoxy)-4-oxidanylidene-chromen-7-yl] 5-bromanylpyridine-3-carboxylate Openeye Name: [3-(4-tert-butylphenoxy)-4-oxo-chromen-7-yl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [3-(4-tert-butylphenoxy)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-tert-butylphenoxy)-4-oxochromen-7-yl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [3-(4-tert-butylphenoxy)-4-keto-chromen-7-yl] ester Formula: C25H20BrNO5 MolecularWeight: 494.334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=CN=C4)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=CN=C4)Br

InChI

InChI=1S/C25H20BrNO5/c1-25(2,3)16-4-6-18(7-5-16)31-22-14-30-21-11-19(8-9-20(21)23(22)28)32-24(29)15-10-17(26)13-27-12-15/h4-14H,1-3H3