(2E)-2-[[[2-(4-bromophenyl)carbonyl-7-methoxy-1-benzofuran-3-yl]amino]-oxidanyl-methylidene]-3-oxidanylidene-butanenitrile

Systemtic Name: (2E)-2-[[[2-(4-bromophenyl)carbonyl-7-methoxy-1-benzofuran-3-yl]amino]-oxidanyl-methylidene]-3-oxidanylidene-butanenitrile Openeye Name: (2E)-2-[[[2-(4-bromobenzoyl)-7-methoxy-benzofuran-3-yl]amino]-hydroxy-methylene]-3-oxo-butanenitrile CAS Name: (2E)-2-[[[2-[(4-bromophenyl)-oxomethyl]-7-methoxy-3-benzofuranyl]amino]-hydroxymethylidene]-3-oxobutanenitrile IUPAC Name: (2E)-2-[[[2-(4-bromobenzoyl)-7-methoxy-1-benzofuran-3-yl]amino]-hydroxymethylidene]-3-oxobutanenitrile Traditional Name: (E)-2-acetyl-3-[[2-(4-bromobenzoyl)-7-methoxy-benzofuran-3-yl]amino]-3-hydroxy-acrylonitrile Formula: C21H15BrN2O5 MolecularWeight: 455.2582

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(NC1=C(OC2=C1C=CC=C2OC)C(=O)C3=CC=C(C=C3)Br)O)C#N

Isomeric SMILES

CC(=O)/C(=C(\NC1=C(OC2=C1C=CC=C2OC)C(=O)C3=CC=C(C=C3)Br)/O)/C#N

InChI

InChI=1S/C21H15BrN2O5/c1-11(25)15(10-23)21(27)24-17-14-4-3-5-16(28-2)19(14)29-20(17)18(26)12-6-8-13(22)9-7-12/h3-9,24,27H,1-2H3/b21-15+