[6,8-bis(chloranyl)-2-(4-methylphenyl)-4-oxidanylidene-chromen-3-yl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [6,8-bis(chloranyl)-2-(4-methylphenyl)-4-oxidanylidene-chromen-3-yl] 5-bromanylpyridine-3-carboxylate Openeye Name: [6,8-dichloro-4-oxo-2-(p-tolyl)chromen-3-yl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [6,8-dichloro-2-(4-methylphenyl)-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [6,8-dichloro-2-(4-methylphenyl)-4-oxochromen-3-yl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [6,8-dichloro-4-keto-2-(p-tolyl)chromen-3-yl] ester Formula: C22H12BrCl2NO4 MolecularWeight: 505.14498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)C3=CC(=CC(=C3O2)Cl)Cl)OC(=O)C4=CC(=CN=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)C3=CC(=CC(=C3O2)Cl)Cl)OC(=O)C4=CC(=CN=C4)Br

InChI

InChI=1S/C22H12BrCl2NO4/c1-11-2-4-12(5-3-11)19-21(30-22(28)13-6-14(23)10-26-9-13)18(27)16-7-15(24)8-17(25)20(16)29-19/h2-10H,1H3