5-(5-bromanyl-2-oxidanyl-phenyl)carbonyl-1-(4-ethylphenyl)-2-oxidanylidene-pyridine-3-carbonitrile

Systemtic Name: 5-(5-bromanyl-2-oxidanyl-phenyl)carbonyl-1-(4-ethylphenyl)-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 5-(5-bromo-2-hydroxy-benzoyl)-1-(4-ethylphenyl)-2-oxo-pyridine-3-carbonitrile CAS Name: 5-[(5-bromo-2-hydroxyphenyl)-oxomethyl]-1-(4-ethylphenyl)-2-oxo-3-pyridinecarbonitrile IUPAC Name: 5-(5-bromo-2-hydroxybenzoyl)-1-(4-ethylphenyl)-2-oxopyridine-3-carbonitrile Traditional Name: 5-(5-bromo-2-hydroxy-benzoyl)-1-(4-ethylphenyl)-2-keto-nicotinonitrile Formula: C21H15BrN2O3 MolecularWeight: 423.2594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15BrN2O3/c1-2-13-3-6-17(7-4-13)24-12-15(9-14(11-23)21(24)27)20(26)18-10-16(22)5-8-19(18)25/h3-10,12,25H,2H2,1H3