(2Z)-2-(furan-2-ylmethylidene)-7-[[methyl-(phenylmethyl)azaniumyl]methyl]-3-oxidanylidene-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-(furan-2-ylmethylidene)-7-[[methyl-(phenylmethyl)azaniumyl]methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-7-[[benzyl(methyl)ammonio]methyl]-2-(2-furylmethylene)-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-(2-furanylmethylidene)-7-[[methyl-(phenylmethyl)ammonio]methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-7-[[benzyl(methyl)azaniumyl]methyl]-2-(furan-2-ylmethylidene)-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-7-[[benzyl(methyl)ammonio]methyl]-2-(2-furfurylidene)-3-keto-coumaran-6-olate Formula: C22H19NO4 MolecularWeight: 361.39056

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2OC(=CC4=CC=CO4)C3=O)[O-]

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2O/C(=C\C4=CC=CO4)/C3=O)[O-]

InChI

InChI=1S/C22H19NO4/c1-23(13-15-6-3-2-4-7-15)14-18-19(24)10-9-17-21(25)20(27-22(17)18)12-16-8-5-11-26-16/h2-12,24H,13-14H2,1H3/b20-12-