(2Z)-2-[(2-chlorophenyl)methylidene]-3-oxidanylidene-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-[(2-chlorophenyl)methylidene]-3-oxidanylidene-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(2-chlorophenyl)methylene]-3-oxo-7-(pyrrolidin-1-ium-1-ylmethyl)benzofuran-6-olate CAS Name: (2Z)-2-[(2-chlorophenyl)methylidene]-3-oxo-7-(1-pyrrolidin-1-iumylmethyl)-6-benzofuranolate IUPAC Name: (2Z)-2-[(2-chlorophenyl)methylidene]-3-oxo-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Traditional Name: (2Z)-2-(2-chlorobenzylidene)-3-keto-7-(pyrrolidin-1-ium-1-ylmethyl)coumaran-6-olate Formula: C20H18ClNO3 MolecularWeight: 355.81482

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=C(C=CC3=C2OC(=CC4=CC=CC=C4Cl)C3=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=C(C=CC3=C2O/C(=C\C4=CC=CC=C4Cl)/C3=O)[O-]

InChI

InChI=1S/C20H18ClNO3/c21-16-6-2-1-5-13(16)11-18-19(24)14-7-8-17(23)15(20(14)25-18)12-22-9-3-4-10-22/h1-2,5-8,11,23H,3-4,9-10,12H2/b18-11-