5-(5-bromanyl-2-oxidanyl-phenyl)carbonyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxidanylidene-pyridine-3-carbonitrile

Systemtic Name: 5-(5-bromanyl-2-oxidanyl-phenyl)carbonyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 5-(5-bromo-2-hydroxy-benzoyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-pyridine-3-carbonitrile CAS Name: 5-[(5-bromo-2-hydroxyphenyl)-oxomethyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-3-pyridinecarbonitrile IUPAC Name: 5-(5-bromo-2-hydroxybenzoyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxopyridine-3-carbonitrile Traditional Name: 5-(5-bromo-2-hydroxy-benzoyl)-1-homoveratryl-2-keto-nicotinonitrile Formula: C23H19BrN2O5 MolecularWeight: 483.31136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C=C(C=C(C2=O)C#N)C(=O)C3=C(C=CC(=C3)Br)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C=C(C=C(C2=O)C#N)C(=O)C3=C(C=CC(=C3)Br)O)OC

InChI

InChI=1S/C23H19BrN2O5/c1-30-20-6-3-14(9-21(20)31-2)7-8-26-13-16(10-15(12-25)23(26)29)22(28)18-11-17(24)4-5-19(18)27/h3-6,9-11,13,27H,7-8H2,1-2H3