(2Z)-7-[(dipropylazaniumyl)methyl]-2-[(5-methylfuran-2-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate

Systemtic Name: (2Z)-7-[(dipropylazaniumyl)methyl]-2-[(5-methylfuran-2-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-7-[(dipropylammonio)methyl]-2-[(5-methyl-2-furyl)methylene]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-[(dipropylammonio)methyl]-2-[(5-methyl-2-furanyl)methylidene]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-7-[(dipropylazaniumyl)methyl]-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-7-[(dipropylammonio)methyl]-3-keto-2-[(5-methyl-2-furyl)methylene]coumaran-6-olate Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CC1=C(C=CC2=C1OC(=CC3=CC=C(O3)C)C2=O)[O-]

Isomeric SMILES

CCC[NH+](CCC)CC1=C(C=CC2=C1O/C(=C\C3=CC=C(O3)C)/C2=O)[O-]

InChI

InChI=1S/C21H25NO4/c1-4-10-22(11-5-2)13-17-18(23)9-8-16-20(24)19(26-21(16)17)12-15-7-6-14(3)25-15/h6-9,12,23H,4-5,10-11,13H2,1-3H3/b19-12-