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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15BrN2O3/c22-17-6-7-19(25)18(11-17)20(26)16-10-15(12-23)21(27)24(13-16)9-8-14-4-2-1-3-5-14/h1-7,10-11,13,25H,8-9H2