(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-[(dibutylazaniumyl)methyl]-3-oxidanylidene-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-[(dibutylazaniumyl)methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylene)-7-[(dibutylammonio)methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-[(dibutylammonio)methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-[(dibutylazaniumyl)methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-7-[(dibutylammonio)methyl]-3-keto-2-piperonylidene-coumaran-6-olate Formula: C25H29NO5 MolecularWeight: 423.50146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CC1=C(C=CC2=C1OC(=CC3=CC4=C(C=C3)OCO4)C2=O)[O-]

Isomeric SMILES

CCCC[NH+](CCCC)CC1=C(C=CC2=C1O/C(=C\C3=CC4=C(C=C3)OCO4)/C2=O)[O-]

InChI

InChI=1S/C25H29NO5/c1-3-5-11-26(12-6-4-2)15-19-20(27)9-8-18-24(28)23(31-25(18)19)14-17-7-10-21-22(13-17)30-16-29-21/h7-10,13-14,27H,3-6,11-12,15-16H2,1-2H3/b23-14-