bis(cyanomethyl)-[[(2Z)-2-[(4-methoxycarbonylphenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]azanium

Systemtic Name: bis(cyanomethyl)-[[(2Z)-2-[(4-methoxycarbonylphenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]azanium Openeye Name: bis(cyanomethyl)-[[(2Z)-6-hydroxy-2-[(4-methoxycarbonylphenyl)methylene]-3-oxo-benzofuran-7-yl]methyl]ammonium CAS Name: bis(cyanomethyl)-[[(2Z)-6-hydroxy-2-[(4-methoxycarbonylphenyl)methylidene]-3-oxo-7-benzofuranyl]methyl]ammonium IUPAC Name: bis(cyanomethyl)-[[(2Z)-6-hydroxy-2-[(4-methoxycarbonylphenyl)methylidene]-3-oxo-1-benzofuran-7-yl]methyl]azanium Traditional Name: [(2Z)-2-(4-carbomethoxybenzylidene)-6-hydroxy-3-keto-coumaran-7-yl]methyl-bis(cyanomethyl)ammonium Formula: C22H18N3O5+ MolecularWeight: 404.39542

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+](CC#N)CC#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+](CC#N)CC#N

InChI

InChI=1S/C22H17N3O5/c1-29-22(28)15-4-2-14(3-5-15)12-19-20(27)16-6-7-18(26)17(21(16)30-19)13-25(10-8-23)11-9-24/h2-7,12,26H,10-11,13H2,1H3/p+1/b19-12-