(6,7-dimethyl-4-oxidanylidene-2-phenyl-chromen-3-yl) 5-bromanylpyridine-3-carboxylate

Systemtic Name: (6,7-dimethyl-4-oxidanylidene-2-phenyl-chromen-3-yl) 5-bromanylpyridine-3-carboxylate Openeye Name: (6,7-dimethyl-4-oxo-2-phenyl-chromen-3-yl) 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid (6,7-dimethyl-4-oxo-2-phenyl-1-benzopyran-3-yl) ester IUPAC Name: (6,7-dimethyl-4-oxo-2-phenylchromen-3-yl) 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid (4-keto-6,7-dimethyl-2-phenyl-chromen-3-yl) ester Formula: C23H16BrNO4 MolecularWeight: 450.28144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=O)C(=C(O2)C3=CC=CC=C3)OC(=O)C4=CC(=CN=C4)Br)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=O)C(=C(O2)C3=CC=CC=C3)OC(=O)C4=CC(=CN=C4)Br)C

InChI

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