1-benzofuran-2-carbonitrile; methyl 1-benzofuran-2-carboximidate; hydrochloride

Systemtic Name: 1-benzofuran-2-carbonitrile; methyl 1-benzofuran-2-carboximidate; hydrochloride Openeye Name: benzofuran-2-carbonitrile; methyl benzofuran-2-carboximidate; hydrochloride CAS Name: 2-benzofurancarbonitrile; 2-benzofurancarboximidic acid methyl ester; hydrochloride IUPAC Name: 1-benzofuran-2-carbonitrile; methyl 1-benzofuran-2-carboximidate; hydrochloride Traditional Name: benzofuran-2-carboximidic acid methyl ester; coumarilonitrile; hydrochloride Formula: C19H15ClN2O3 MolecularWeight: 354.787

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Descriptors Computed from Structure

Canonical SMILES:

COC(=N)C1=CC2=CC=CC=C2O1.C1=CC=C2C(=C1)C=C(O2)C#N.Cl

Isomeric SMILES

COC(=N)C1=CC2=CC=CC=C2O1.C1=CC=C2C(=C1)C=C(O2)C#N.Cl

InChI

InChI=1S/C10H9NO2.C9H5NO.ClH/c1-12-10(11)9-6-7-4-2-3-5-8(7)13-9;10-6-8-5-7-3-1-2-4-9(7)11-8;/h2-6,11H,1H3;1-5H;1H