ethyl 4-[5-(5-bromanyl-2-oxidanyl-phenyl)carbonyl-3-cyano-2-oxidanylidene-pyridin-1-yl]benzoate

Systemtic Name: ethyl 4-[5-(5-bromanyl-2-oxidanyl-phenyl)carbonyl-3-cyano-2-oxidanylidene-pyridin-1-yl]benzoate Openeye Name: ethyl 4-[5-(5-bromo-2-hydroxy-benzoyl)-3-cyano-2-oxo-1-pyridyl]benzoate CAS Name: 4-[5-[(5-bromo-2-hydroxyphenyl)-oxomethyl]-3-cyano-2-oxo-1-pyridinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-(5-bromo-2-hydroxybenzoyl)-3-cyano-2-oxopyridin-1-yl]benzoate Traditional Name: 4-[5-(5-bromo-2-hydroxy-benzoyl)-3-cyano-2-keto-1-pyridyl]benzoic acid ethyl ester Formula: C22H15BrN2O5 MolecularWeight: 467.2689

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C=C(C=C(C2=O)C#N)C(=O)C3=C(C=CC(=C3)Br)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C=C(C=C(C2=O)C#N)C(=O)C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C22H15BrN2O5/c1-2-30-22(29)13-3-6-17(7-4-13)25-12-15(9-14(11-24)21(25)28)20(27)18-10-16(23)5-8-19(18)26/h3-10,12,26H,2H2,1H3