1-oxidanylidene-3H-2-benzofuran-5-carbonitrile; 1-oxidanylidene-3H-2-benzofuran-5-carbonyl chloride

Systemtic Name: 1-oxidanylidene-3H-2-benzofuran-5-carbonitrile; 1-oxidanylidene-3H-2-benzofuran-5-carbonyl chloride Openeye Name: 1-oxo-3H-isobenzofuran-5-carbonitrile; 1-oxo-3H-isobenzofuran-5-carbonyl chloride CAS Name: 1-oxo-3H-isobenzofuran-5-carbonitrile; 1-oxo-3H-isobenzofuran-5-carbonyl chloride IUPAC Name: 1-oxo-3H-2-benzofuran-5-carbonitrile; 1-oxo-3H-2-benzofuran-5-carbonyl chloride Traditional Name: 1-ketophthalan-5-carbonitrile; 1-ketophthalan-5-carbonyl chloride Formula: C18H10ClNO5 MolecularWeight: 355.7287

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)C#N)C(=O)O1.C1C2=C(C=CC(=C2)C(=O)Cl)C(=O)O1

Isomeric SMILES

C1C2=C(C=CC(=C2)C#N)C(=O)O1.C1C2=C(C=CC(=C2)C(=O)Cl)C(=O)O1

InChI

InChI=1S/C9H5ClO3.C9H5NO2/c10-8(11)5-1-2-7-6(3-5)4-13-9(7)12;10-4-6-1-2-8-7(3-6)5-12-9(8)11/h1-3H,4H2;1-3H,5H2