5-(5-bromanyl-2-oxidanyl-phenyl)carbonyl-1-(2-ethoxyphenyl)-2-oxidanylidene-pyridine-3-carbonitrile

Systemtic Name: 5-(5-bromanyl-2-oxidanyl-phenyl)carbonyl-1-(2-ethoxyphenyl)-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 5-(5-bromo-2-hydroxy-benzoyl)-1-(2-ethoxyphenyl)-2-oxo-pyridine-3-carbonitrile CAS Name: 5-[(5-bromo-2-hydroxyphenyl)-oxomethyl]-1-(2-ethoxyphenyl)-2-oxo-3-pyridinecarbonitrile IUPAC Name: 5-(5-bromo-2-hydroxybenzoyl)-1-(2-ethoxyphenyl)-2-oxopyridine-3-carbonitrile Traditional Name: 5-(5-bromo-2-hydroxy-benzoyl)-2-keto-1-o-phenetyl-nicotinonitrile Formula: C21H15BrN2O4 MolecularWeight: 439.2588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C=C(C=C(C2=O)C#N)C(=O)C3=C(C=CC(=C3)Br)O

Isomeric SMILES

CCOC1=CC=CC=C1N2C=C(C=C(C2=O)C#N)C(=O)C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C21H15BrN2O4/c1-2-28-19-6-4-3-5-17(19)24-12-14(9-13(11-23)21(24)27)20(26)16-10-15(22)7-8-18(16)25/h3-10,12,25H,2H2,1H3