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

Systemtic Name: (2Z)-2-(1-benzofuran-2-ylmethylidene)-7-[[butyl(methyl)azaniumyl]methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-(benzofuran-2-ylmethylene)-7-[[butyl(methyl)ammonio]methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-(2-benzofuranylmethylidene)-7-[[butyl(methyl)ammonio]methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-(1-benzofuran-2-ylmethylidene)-7-[[butyl(methyl)azaniumyl]methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-(benzofuran-2-ylmethylene)-7-[[butyl(methyl)ammonio]methyl]-3-keto-coumaran-6-olate Formula: C23H23NO4 MolecularWeight: 377.43302

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CC1=C(C=CC2=C1OC(=CC3=CC4=CC=CC=C4O3)C2=O)[O-]

Isomeric SMILES

CCCC[NH+](C)CC1=C(C=CC2=C1O/C(=C\C3=CC4=CC=CC=C4O3)/C2=O)[O-]

InChI

InChI=1S/C23H23NO4/c1-3-4-11-24(2)14-18-19(25)10-9-17-22(26)21(28-23(17)18)13-16-12-15-7-5-6-8-20(15)27-16/h5-10,12-13,25H,3-4,11,14H2,1-2H3/b21-13-