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

Systemtic Name: (2Z)-7-[(dipropylazaniumyl)methyl]-2-[(3-methoxyphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-7-[(dipropylammonio)methyl]-2-[(3-methoxyphenyl)methylene]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-[(dipropylammonio)methyl]-2-[(3-methoxyphenyl)methylidene]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-7-[(dipropylazaniumyl)methyl]-2-[(3-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-7-[(dipropylammonio)methyl]-3-keto-2-m-anisylidene-coumaran-6-olate Formula: C23H27NO4 MolecularWeight: 381.46478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO4/c1-4-11-24(12-5-2)15-19-20(25)10-9-18-22(26)21(28-23(18)19)14-16-7-6-8-17(13-16)27-3/h6-10,13-14,25H,4-5,11-12,15H2,1-3H3/b21-14-