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

Systemtic Name: 5-(5-bromanyl-2-oxidanyl-phenyl)carbonyl-2-oxidanylidene-1-prop-2-enyl-pyridine-3-carbonitrile Openeye Name: 1-allyl-5-(5-bromo-2-hydroxy-benzoyl)-2-oxo-pyridine-3-carbonitrile CAS Name: 5-[(5-bromo-2-hydroxyphenyl)-oxomethyl]-2-oxo-1-prop-2-enyl-3-pyridinecarbonitrile IUPAC Name: 5-(5-bromo-2-hydroxybenzoyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile Traditional Name: 1-allyl-5-(5-bromo-2-hydroxy-benzoyl)-2-keto-nicotinonitrile Formula: C16H11BrN2O3 MolecularWeight: 359.17414

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=C(C=C(C1=O)C#N)C(=O)C2=C(C=CC(=C2)Br)O

Isomeric SMILES

C=CCN1C=C(C=C(C1=O)C#N)C(=O)C2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C16H11BrN2O3/c1-2-5-19-9-11(6-10(8-18)16(19)22)15(21)13-7-12(17)3-4-14(13)20/h2-4,6-7,9,20H,1,5H2