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

Systemtic Name: [6-chloranyl-2-(4-methoxyphenyl)-4-oxidanylidene-chromen-3-yl] 5-bromanylpyridine-3-carboxylate Openeye Name: [6-chloro-2-(4-methoxyphenyl)-4-oxo-chromen-3-yl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [6-chloro-2-(4-methoxyphenyl)-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [6-chloro-2-(4-methoxyphenyl)-4-oxochromen-3-yl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [6-chloro-4-keto-2-(4-methoxyphenyl)chromen-3-yl] ester Formula: C22H13BrClNO5 MolecularWeight: 486.69932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OC(=O)C4=CC(=CN=C4)Br

Isomeric SMILES

COC1=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/C22H13BrClNO5/c1-28-16-5-2-12(3-6-16)20-21(30-22(27)13-8-14(23)11-25-10-13)19(26)17-9-15(24)4-7-18(17)29-20/h2-11H,1H3