(2Z)-7-[[bis(2-methoxyethyl)azaniumyl]methyl]-3-oxidanylidene-2-(phenylmethylidene)-1-benzofuran-6-olate

Systemtic Name: (2Z)-7-[[bis(2-methoxyethyl)azaniumyl]methyl]-3-oxidanylidene-2-(phenylmethylidene)-1-benzofuran-6-olate Openeye Name: (2Z)-2-benzylidene-7-[[bis(2-methoxyethyl)ammonio]methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-[[bis(2-methoxyethyl)ammonio]methyl]-3-oxo-2-(phenylmethylene)-6-benzofuranolate IUPAC Name: (2Z)-2-benzylidene-7-[[bis(2-methoxyethyl)azaniumyl]methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-benzal-7-[[bis(2-methoxyethyl)ammonio]methyl]-3-keto-coumaran-6-olate Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

COCC[NH+](CCOC)CC1=C(C=CC2=C1OC(=CC3=CC=CC=C3)C2=O)[O-]

Isomeric SMILES

COCC[NH+](CCOC)CC1=C(C=CC2=C1O/C(=C\C3=CC=CC=C3)/C2=O)[O-]

InChI

InChI=1S/C22H25NO5/c1-26-12-10-23(11-13-27-2)15-18-19(24)9-8-17-21(25)20(28-22(17)18)14-16-6-4-3-5-7-16/h3-9,14,24H,10-13,15H2,1-2H3/b20-14-