4-[[5-bromanyl-3-[[(E)-2-cyano-1-oxidanyl-3-oxidanylidene-but-1-enyl]amino]-1-benzofuran-2-yl]carbonyl]benzenecarbonitrile

Systemtic Name: 4-[[5-bromanyl-3-[[(E)-2-cyano-1-oxidanyl-3-oxidanylidene-but-1-enyl]amino]-1-benzofuran-2-yl]carbonyl]benzenecarbonitrile Openeye Name: 4-[5-bromo-3-[[(E)-2-cyano-1-hydroxy-3-oxo-but-1-enyl]amino]benzofuran-2-carbonyl]benzonitrile CAS Name: 4-[[5-bromo-3-[[(E)-2-cyano-1-hydroxy-3-oxobut-1-enyl]amino]-2-benzofuranyl]-oxomethyl]benzonitrile IUPAC Name: 4-[5-bromo-3-[[(E)-2-cyano-1-hydroxy-3-oxobut-1-enyl]amino]-1-benzofuran-2-carbonyl]benzonitrile Traditional Name: 4-[5-bromo-3-[[(E)-2-cyano-1-hydroxy-3-keto-but-1-enyl]amino]benzofuran-2-carbonyl]benzonitrile Formula: C21H12BrN3O4 MolecularWeight: 450.24168

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(NC1=C(OC2=C1C=C(C=C2)Br)C(=O)C3=CC=C(C=C3)C#N)O)C#N

Isomeric SMILES

CC(=O)/C(=C(\NC1=C(OC2=C1C=C(C=C2)Br)C(=O)C3=CC=C(C=C3)C#N)/O)/C#N

InChI

InChI=1S/C21H12BrN3O4/c1-11(26)16(10-24)21(28)25-18-15-8-14(22)6-7-17(15)29-20(18)19(27)13-4-2-12(9-23)3-5-13/h2-8,25,28H,1H3/b21-16+