(2Z)-2-[(3,4-dichlorophenyl)methylidene]-3-oxidanylidene-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-[(3,4-dichlorophenyl)methylidene]-3-oxidanylidene-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(3,4-dichlorophenyl)methylene]-3-oxo-7-(pyrrolidin-1-ium-1-ylmethyl)benzofuran-6-olate CAS Name: (2Z)-2-[(3,4-dichlorophenyl)methylidene]-3-oxo-7-(1-pyrrolidin-1-iumylmethyl)-6-benzofuranolate IUPAC Name: (2Z)-2-[(3,4-dichlorophenyl)methylidene]-3-oxo-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Traditional Name: (2Z)-2-(3,4-dichlorobenzylidene)-3-keto-7-(pyrrolidin-1-ium-1-ylmethyl)coumaran-6-olate Formula: C20H17Cl2NO3 MolecularWeight: 390.25988

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=C(C=CC3=C2OC(=CC4=CC(=C(C=C4)Cl)Cl)C3=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H17Cl2NO3/c21-15-5-3-12(9-16(15)22)10-18-19(25)13-4-6-17(24)14(20(13)26-18)11-23-7-1-2-8-23/h3-6,9-10,24H,1-2,7-8,11H2/b18-10-