N-[5-bromanyl-2-[(E)-3-phenylprop-2-enoyl]-1-benzofuran-3-yl]-2-cyano-3-oxidanylidene-butanamide

Systemtic Name: N-[5-bromanyl-2-[(E)-3-phenylprop-2-enoyl]-1-benzofuran-3-yl]-2-cyano-3-oxidanylidene-butanamide Openeye Name: N-[5-bromo-2-[(E)-3-phenylprop-2-enoyl]benzofuran-3-yl]-2-cyano-3-oxo-butanamide CAS Name: N-[5-bromo-2-[(E)-1-oxo-3-phenylprop-2-enyl]-3-benzofuranyl]-2-cyano-3-oxobutanamide IUPAC Name: N-[5-bromo-2-[(E)-3-phenylprop-2-enoyl]-1-benzofuran-3-yl]-2-cyano-3-oxobutanamide Traditional Name: N-[5-bromo-2-[(E)-3-phenylacryloyl]benzofuran-3-yl]-2-cyano-3-keto-butyramide Formula: C22H15BrN2O4 MolecularWeight: 451.2695

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C#N)C(=O)NC1=C(OC2=C1C=C(C=C2)Br)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H15BrN2O4/c1-13(26)17(12-24)22(28)25-20-16-11-15(23)8-10-19(16)29-21(20)18(27)9-7-14-5-3-2-4-6-14/h2-11,17H,1H3,(H,25,28)/b9-7+