(2Z)-7-[(dibutylazaniumyl)methyl]-2-(1H-indol-3-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-olate

Systemtic Name: (2Z)-7-[(dibutylazaniumyl)methyl]-2-(1H-indol-3-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-7-[(dibutylammonio)methyl]-2-(1H-indol-3-ylmethylene)-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-[(dibutylammonio)methyl]-2-(1H-indol-3-ylmethylidene)-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-7-[(dibutylazaniumyl)methyl]-2-(1H-indol-3-ylmethylidene)-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-7-[(dibutylammonio)methyl]-2-(1H-indol-3-ylmethylene)-3-keto-coumaran-6-olate Formula: C26H30N2O3 MolecularWeight: 418.528

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CC1=C(C=CC2=C1OC(=CC3=CNC4=CC=CC=C43)C2=O)[O-]

Isomeric SMILES

CCCC[NH+](CCCC)CC1=C(C=CC2=C1O/C(=C\C3=CNC4=CC=CC=C43)/C2=O)[O-]

InChI

InChI=1S/C26H30N2O3/c1-3-5-13-28(14-6-4-2)17-21-23(29)12-11-20-25(30)24(31-26(20)21)15-18-16-27-22-10-8-7-9-19(18)22/h7-12,15-16,27,29H,3-6,13-14,17H2,1-2H3/b24-15-