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

Systemtic Name: 5-(5-bromanyl-2-oxidanyl-phenyl)carbonyl-2-oxidanylidene-1-(oxolan-2-ylmethyl)pyridine-3-carbonitrile Openeye Name: 5-(5-bromo-2-hydroxy-benzoyl)-2-oxo-1-(tetrahydrofuran-2-ylmethyl)pyridine-3-carbonitrile CAS Name: 5-[(5-bromo-2-hydroxyphenyl)-oxomethyl]-2-oxo-1-(2-oxolanylmethyl)-3-pyridinecarbonitrile IUPAC Name: 5-(5-bromo-2-hydroxybenzoyl)-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carbonitrile Traditional Name: 5-(5-bromo-2-hydroxy-benzoyl)-2-keto-1-(tetrahydrofurfuryl)nicotinonitrile Formula: C18H15BrN2O4 MolecularWeight: 403.2267

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C=C(C=C(C2=O)C#N)C(=O)C3=C(C=CC(=C3)Br)O

Isomeric SMILES

C1CC(OC1)CN2C=C(C=C(C2=O)C#N)C(=O)C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C18H15BrN2O4/c19-13-3-4-16(22)15(7-13)17(23)12-6-11(8-20)18(24)21(9-12)10-14-2-1-5-25-14/h3-4,6-7,9,14,22H,1-2,5,10H2