1-butyl-3-oxidanylidene-1H-2-benzofuran-5-carbonitrile

Systemtic Name: 1-butyl-3-oxidanylidene-1H-2-benzofuran-5-carbonitrile Openeye Name: 1-butyl-3-oxo-1H-isobenzofuran-5-carbonitrile CAS Name: 1-butyl-3-oxo-1H-isobenzofuran-5-carbonitrile IUPAC Name: 1-butyl-3-oxo-1H-2-benzofuran-5-carbonitrile Traditional Name: 1-butyl-3-keto-phthalan-5-carbonitrile Formula: C13H13NO2 MolecularWeight: 215.24782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C2=C(C=C(C=C2)C#N)C(=O)O1

Isomeric SMILES

CCCCC1C2=C(C=C(C=C2)C#N)C(=O)O1

InChI

InChI=1S/C13H13NO2/c1-2-3-4-12-10-6-5-9(8-14)7-11(10)13(15)16-12/h5-7,12H,2-4H2,1H3