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

Systemtic Name: [6-chloranyl-2-(4-methylphenyl)-4-oxidanylidene-chromen-3-yl] 5-bromanylpyridine-3-carboxylate Openeye Name: [6-chloro-4-oxo-2-(p-tolyl)chromen-3-yl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [6-chloro-2-(4-methylphenyl)-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [6-chloro-2-(4-methylphenyl)-4-oxochromen-3-yl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [6-chloro-4-keto-2-(p-tolyl)chromen-3-yl] ester Formula: C22H13BrClNO4 MolecularWeight: 470.69992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OC(=O)C4=CC(=CN=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OC(=O)C4=CC(=CN=C4)Br

InChI

InChI=1S/C22H13BrClNO4/c1-12-2-4-13(5-3-12)20-21(29-22(27)14-8-15(23)11-25-10-14)19(26)17-9-16(24)6-7-18(17)28-20/h2-11H,1H3