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

Systemtic Name: (2Z)-7-[[bis(2-methoxyethyl)azaniumyl]methyl]-3-oxidanylidene-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-olate Openeye Name: (2Z)-7-[[bis(2-methoxyethyl)ammonio]methyl]-3-oxo-2-(3-pyridylmethylene)benzofuran-6-olate CAS Name: (2Z)-7-[[bis(2-methoxyethyl)ammonio]methyl]-3-oxo-2-(3-pyridinylmethylidene)-6-benzofuranolate IUPAC Name: (2Z)-7-[[bis(2-methoxyethyl)azaniumyl]methyl]-3-oxo-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-olate Traditional Name: (2Z)-7-[[bis(2-methoxyethyl)ammonio]methyl]-3-keto-2-(3-pyridylmethylene)coumaran-6-olate Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5/c1-26-10-8-23(9-11-27-2)14-17-18(24)6-5-16-20(25)19(28-21(16)17)12-15-4-3-7-22-13-15/h3-7,12-13,24H,8-11,14H2,1-2H3/b19-12-