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

Systemtic Name: (2Z)-7-[(dipropylazaniumyl)methyl]-2-(furan-2-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-7-[(dipropylammonio)methyl]-2-(2-furylmethylene)-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-[(dipropylammonio)methyl]-2-(2-furanylmethylidene)-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-7-[(dipropylazaniumyl)methyl]-2-(furan-2-ylmethylidene)-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-7-[(dipropylammonio)methyl]-2-(2-furfurylidene)-3-keto-coumaran-6-olate Formula: C20H23NO4 MolecularWeight: 341.40092

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CC1=C(C=CC2=C1OC(=CC3=CC=CO3)C2=O)[O-]

Isomeric SMILES

CCC[NH+](CCC)CC1=C(C=CC2=C1O/C(=C\C3=CC=CO3)/C2=O)[O-]

InChI

InChI=1S/C20H23NO4/c1-3-9-21(10-4-2)13-16-17(22)8-7-15-19(23)18(25-20(15)16)12-14-6-5-11-24-14/h5-8,11-12,22H,3-4,9-10,13H2,1-2H3/b18-12-