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

Systemtic Name: 3-[[(E)-2-cyano-1-oxidanyl-3-oxidanylidene-but-1-enyl]amino]-1-benzofuran-2-carbonitrile Openeye Name: 3-[[(E)-2-cyano-1-hydroxy-3-oxo-but-1-enyl]amino]benzofuran-2-carbonitrile CAS Name: 3-[[(E)-2-cyano-1-hydroxy-3-oxobut-1-enyl]amino]-2-benzofurancarbonitrile IUPAC Name: 3-[[(E)-2-cyano-1-hydroxy-3-oxobut-1-enyl]amino]-1-benzofuran-2-carbonitrile Traditional Name: 3-[[(E)-2-cyano-1-hydroxy-3-keto-but-1-enyl]amino]coumarilonitrile Formula: C14H9N3O3 MolecularWeight: 267.23956

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(NC1=C(OC2=CC=CC=C21)C#N)O)C#N

Isomeric SMILES

CC(=O)/C(=C(\NC1=C(OC2=CC=CC=C21)C#N)/O)/C#N

InChI

InChI=1S/C14H9N3O3/c1-8(18)10(6-15)14(19)17-13-9-4-2-3-5-11(9)20-12(13)7-16/h2-5,17,19H,1H3/b14-10+