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

Systemtic Name: 5-(5-bromanyl-2-oxidanyl-phenyl)carbonyl-2-oxidanylidene-1-propan-2-yl-pyridine-3-carbonitrile Openeye Name: 5-(5-bromo-2-hydroxy-benzoyl)-1-isopropyl-2-oxo-pyridine-3-carbonitrile CAS Name: 5-[(5-bromo-2-hydroxyphenyl)-oxomethyl]-2-oxo-1-propan-2-yl-3-pyridinecarbonitrile IUPAC Name: 5-(5-bromo-2-hydroxybenzoyl)-2-oxo-1-propan-2-ylpyridine-3-carbonitrile Traditional Name: 5-(5-bromo-2-hydroxy-benzoyl)-1-isopropyl-2-keto-nicotinonitrile Formula: C16H13BrN2O3 MolecularWeight: 361.19002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=C(C1=O)C#N)C(=O)C2=C(C=CC(=C2)Br)O

Isomeric SMILES

CC(C)N1C=C(C=C(C1=O)C#N)C(=O)C2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C16H13BrN2O3/c1-9(2)19-8-11(5-10(7-18)16(19)22)15(21)13-6-12(17)3-4-14(13)20/h3-6,8-9,20H,1-2H3