(2Z)-2-(1-benzofuran-2-ylmethylidene)-7-[(diethylazaniumyl)methyl]-4-methyl-3-oxidanylidene-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-(1-benzofuran-2-ylmethylidene)-7-[(diethylazaniumyl)methyl]-4-methyl-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-(benzofuran-2-ylmethylene)-7-[(diethylammonio)methyl]-4-methyl-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-(2-benzofuranylmethylidene)-7-[(diethylammonio)methyl]-4-methyl-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-(1-benzofuran-2-ylmethylidene)-7-[(diethylazaniumyl)methyl]-4-methyl-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-(benzofuran-2-ylmethylene)-7-[(diethylammonio)methyl]-3-keto-4-methyl-coumaran-6-olate Formula: C23H23NO4 MolecularWeight: 377.43302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO4/c1-4-24(5-2)13-17-18(25)10-14(3)21-22(26)20(28-23(17)21)12-16-11-15-8-6-7-9-19(15)27-16/h6-12,25H,4-5,13H2,1-3H3/b20-12-