5-bromanyl-3-[[(E)-2-cyano-1-oxidanyl-3-oxidanylidene-but-1-enyl]amino]-1-benzofuran-2-carbonitrile

Systemtic Name: 5-bromanyl-3-[[(E)-2-cyano-1-oxidanyl-3-oxidanylidene-but-1-enyl]amino]-1-benzofuran-2-carbonitrile Openeye Name: 5-bromo-3-[[(E)-2-cyano-1-hydroxy-3-oxo-but-1-enyl]amino]benzofuran-2-carbonitrile CAS Name: 5-bromo-3-[[(E)-2-cyano-1-hydroxy-3-oxobut-1-enyl]amino]-2-benzofurancarbonitrile IUPAC Name: 5-bromo-3-[[(E)-2-cyano-1-hydroxy-3-oxobut-1-enyl]amino]-1-benzofuran-2-carbonitrile Traditional Name: 5-bromo-3-[[(E)-2-cyano-1-hydroxy-3-keto-but-1-enyl]amino]coumarilonitrile Formula: C14H8BrN3O3 MolecularWeight: 346.13562

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(NC1=C(OC2=C1C=C(C=C2)Br)C#N)O)C#N

Isomeric SMILES

CC(=O)/C(=C(\NC1=C(OC2=C1C=C(C=C2)Br)C#N)/O)/C#N

InChI

InChI=1S/C14H8BrN3O3/c1-7(19)10(5-16)14(20)18-13-9-4-8(15)2-3-11(9)21-12(13)6-17/h2-4,18,20H,1H3/b14-10+