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

Systemtic Name: 5-(5-bromanyl-2-oxidanyl-phenyl)carbonyl-1-octyl-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 5-(5-bromo-2-hydroxy-benzoyl)-1-octyl-2-oxo-pyridine-3-carbonitrile CAS Name: 5-[(5-bromo-2-hydroxyphenyl)-oxomethyl]-1-octyl-2-oxo-3-pyridinecarbonitrile IUPAC Name: 5-(5-bromo-2-hydroxybenzoyl)-1-octyl-2-oxopyridine-3-carbonitrile Traditional Name: 5-(5-bromo-2-hydroxy-benzoyl)-2-keto-1-octyl-nicotinonitrile Formula: C21H23BrN2O3 MolecularWeight: 431.32292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C=C(C=C(C1=O)C#N)C(=O)C2=C(C=CC(=C2)Br)O

Isomeric SMILES

CCCCCCCCN1C=C(C=C(C1=O)C#N)C(=O)C2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C21H23BrN2O3/c1-2-3-4-5-6-7-10-24-14-16(11-15(13-23)21(24)27)20(26)18-12-17(22)8-9-19(18)25/h8-9,11-12,14,25H,2-7,10H2,1H3