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

Systemtic Name: [7-methyl-2-(4-methylphenyl)-4-oxidanylidene-chromen-3-yl] 5-bromanylpyridine-3-carboxylate Openeye Name: [7-methyl-4-oxo-2-(p-tolyl)chromen-3-yl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [7-methyl-2-(4-methylphenyl)-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [7-methyl-2-(4-methylphenyl)-4-oxochromen-3-yl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [4-keto-7-methyl-2-(p-tolyl)chromen-3-yl] ester Formula: C23H16BrNO4 MolecularWeight: 450.28144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H16BrNO4/c1-13-3-6-15(7-4-13)21-22(29-23(27)16-10-17(24)12-25-11-16)20(26)18-8-5-14(2)9-19(18)28-21/h3-12H,1-2H3