[3-(3-methylphenoxy)-4-oxidanylidene-chromen-7-yl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [3-(3-methylphenoxy)-4-oxidanylidene-chromen-7-yl] 5-bromanylpyridine-3-carboxylate Openeye Name: [3-(3-methylphenoxy)-4-oxo-chromen-7-yl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [3-(3-methylphenoxy)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(3-methylphenoxy)-4-oxochromen-7-yl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [4-keto-3-(3-methylphenoxy)chromen-7-yl] ester Formula: C22H14BrNO5 MolecularWeight: 452.25426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=CN=C4)Br

Isomeric SMILES

CC1=CC(=CC=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=CN=C4)Br

InChI

InChI=1S/C22H14BrNO5/c1-13-3-2-4-16(7-13)28-20-12-27-19-9-17(5-6-18(19)21(20)25)29-22(26)14-8-15(23)11-24-10-14/h2-12H,1H3