5-(5-bromanyl-2-oxidanyl-phenyl)carbonyl-1-(2,6-diethylphenyl)-2-oxidanylidene-pyridine-3-carbonitrile

Systemtic Name: 5-(5-bromanyl-2-oxidanyl-phenyl)carbonyl-1-(2,6-diethylphenyl)-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 5-(5-bromo-2-hydroxy-benzoyl)-1-(2,6-diethylphenyl)-2-oxo-pyridine-3-carbonitrile CAS Name: 5-[(5-bromo-2-hydroxyphenyl)-oxomethyl]-1-(2,6-diethylphenyl)-2-oxo-3-pyridinecarbonitrile IUPAC Name: 5-(5-bromo-2-hydroxybenzoyl)-1-(2,6-diethylphenyl)-2-oxopyridine-3-carbonitrile Traditional Name: 5-(5-bromo-2-hydroxy-benzoyl)-1-(2,6-diethylphenyl)-2-keto-nicotinonitrile Formula: C23H19BrN2O3 MolecularWeight: 451.31256

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C=C(C=C(C2=O)C#N)C(=O)C3=C(C=CC(=C3)Br)O

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C=C(C=C(C2=O)C#N)C(=O)C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C23H19BrN2O3/c1-3-14-6-5-7-15(4-2)21(14)26-13-17(10-16(12-25)23(26)29)22(28)19-11-18(24)8-9-20(19)27/h5-11,13,27H,3-4H2,1-2H3