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

Systemtic Name: 5-(5-bromanyl-2-oxidanyl-phenyl)carbonyl-1-butyl-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 5-(5-bromo-2-hydroxy-benzoyl)-1-butyl-2-oxo-pyridine-3-carbonitrile CAS Name: 5-[(5-bromo-2-hydroxyphenyl)-oxomethyl]-1-butyl-2-oxo-3-pyridinecarbonitrile IUPAC Name: 5-(5-bromo-2-hydroxybenzoyl)-1-butyl-2-oxopyridine-3-carbonitrile Traditional Name: 5-(5-bromo-2-hydroxy-benzoyl)-1-butyl-2-keto-nicotinonitrile Formula: C17H15BrN2O3 MolecularWeight: 375.2166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C=C(C1=O)C#N)C(=O)C2=C(C=CC(=C2)Br)O

Isomeric SMILES

CCCCN1C=C(C=C(C1=O)C#N)C(=O)C2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C17H15BrN2O3/c1-2-3-6-20-10-12(7-11(9-19)17(20)23)16(22)14-8-13(18)4-5-15(14)21/h4-5,7-8,10,21H,2-3,6H2,1H3