[2-(4-tert-butylphenyl)-6-chloranyl-7-methyl-4-oxidanylidene-chromen-3-yl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-(4-tert-butylphenyl)-6-chloranyl-7-methyl-4-oxidanylidene-chromen-3-yl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-(4-tert-butylphenyl)-6-chloro-7-methyl-4-oxo-chromen-3-yl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-(4-tert-butylphenyl)-6-chloro-7-methyl-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(4-tert-butylphenyl)-6-chloro-7-methyl-4-oxochromen-3-yl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-(4-tert-butylphenyl)-6-chloro-4-keto-7-methyl-chromen-3-yl] ester Formula: C26H21BrClNO4 MolecularWeight: 526.80624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)OC(=C(C2=O)OC(=O)C3=CC(=CN=C3)Br)C4=CC=C(C=C4)C(C)(C)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=C1)OC(=C(C2=O)OC(=O)C3=CC(=CN=C3)Br)C4=CC=C(C=C4)C(C)(C)C)Cl

InChI

InChI=1S/C26H21BrClNO4/c1-14-9-21-19(11-20(14)28)22(30)24(33-25(31)16-10-18(27)13-29-12-16)23(32-21)15-5-7-17(8-6-15)26(2,3)4/h5-13H,1-4H3