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

Systemtic Name: [2-(4-chlorophenyl)-7-methyl-4-oxidanylidene-chromen-3-yl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-(4-chlorophenyl)-7-methyl-4-oxo-chromen-3-yl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-(4-chlorophenyl)-7-methyl-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(4-chlorophenyl)-7-methyl-4-oxochromen-3-yl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-(4-chlorophenyl)-4-keto-7-methyl-chromen-3-yl] ester Formula: C22H13BrClNO4 MolecularWeight: 470.69992

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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)Cl)OC(=O)C4=CC(=CN=C4)Br

Isomeric SMILES

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

InChI

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