[2-(4-tert-butylphenyl)-7-methyl-4-oxidanylidene-chromen-3-yl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-(4-tert-butylphenyl)-7-methyl-4-oxidanylidene-chromen-3-yl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-(4-tert-butylphenyl)-7-methyl-4-oxo-chromen-3-yl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-(4-tert-butylphenyl)-7-methyl-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(4-tert-butylphenyl)-7-methyl-4-oxochromen-3-yl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-(4-tert-butylphenyl)-4-keto-7-methyl-chromen-3-yl] ester Formula: C26H22BrNO4 MolecularWeight: 492.36118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)C(C)(C)C)OC(=O)C4=CC(=CN=C4)Br

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)C(C)(C)C)OC(=O)C4=CC(=CN=C4)Br

InChI

InChI=1S/C26H22BrNO4/c1-15-5-10-20-21(11-15)31-23(16-6-8-18(9-7-16)26(2,3)4)24(22(20)29)32-25(30)17-12-19(27)14-28-13-17/h5-14H,1-4H3