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

Systemtic Name: 5-(5-bromanyl-2-oxidanyl-phenyl)carbonyl-1-(3-methoxypropyl)-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 5-(5-bromo-2-hydroxy-benzoyl)-1-(3-methoxypropyl)-2-oxo-pyridine-3-carbonitrile CAS Name: 5-[(5-bromo-2-hydroxyphenyl)-oxomethyl]-1-(3-methoxypropyl)-2-oxo-3-pyridinecarbonitrile IUPAC Name: 5-(5-bromo-2-hydroxybenzoyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile Traditional Name: 5-(5-bromo-2-hydroxy-benzoyl)-2-keto-1-(3-methoxypropyl)nicotinonitrile Formula: C17H15BrN2O4 MolecularWeight: 391.216

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C=C(C=C(C1=O)C#N)C(=O)C2=C(C=CC(=C2)Br)O

Isomeric SMILES

COCCCN1C=C(C=C(C1=O)C#N)C(=O)C2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C17H15BrN2O4/c1-24-6-2-5-20-10-12(7-11(9-19)17(20)23)16(22)14-8-13(18)3-4-15(14)21/h3-4,7-8,10,21H,2,5-6H2,1H3