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

Systemtic Name: [(2Z)-2-[(3-chlorophenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-bis(cyanomethyl)azanium Openeye Name: [(2Z)-2-[(3-chlorophenyl)methylene]-6-hydroxy-3-oxo-benzofuran-7-yl]methyl-bis(cyanomethyl)ammonium CAS Name: [(2Z)-2-[(3-chlorophenyl)methylidene]-6-hydroxy-3-oxo-7-benzofuranyl]methyl-bis(cyanomethyl)ammonium IUPAC Name: [(2Z)-2-[(3-chlorophenyl)methylidene]-6-hydroxy-3-oxo-1-benzofuran-7-yl]methyl-bis(cyanomethyl)azanium Traditional Name: [(2Z)-2-(3-chlorobenzylidene)-6-hydroxy-3-keto-coumaran-7-yl]methyl-bis(cyanomethyl)ammonium Formula: C20H15ClN3O3+ MolecularWeight: 380.8044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14ClN3O3/c21-14-3-1-2-13(10-14)11-18-19(26)15-4-5-17(25)16(20(15)27-18)12-24(8-6-22)9-7-23/h1-5,10-11,25H,8-9,12H2/p+1/b18-11-