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

Systemtic Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-[(dipropylazaniumyl)methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylene)-7-[(dipropylammonio)methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-[(dipropylammonio)methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-[(dipropylazaniumyl)methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-7-[(dipropylammonio)methyl]-3-keto-2-piperonylidene-coumaran-6-olate Formula: C23H25NO5 MolecularWeight: 395.4483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO5/c1-3-9-24(10-4-2)13-17-18(25)7-6-16-22(26)21(29-23(16)17)12-15-5-8-19-20(11-15)28-14-27-19/h5-8,11-12,25H,3-4,9-10,13-14H2,1-2H3/b21-12-