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

Systemtic Name: (2Z)-7-[(dibutylazaniumyl)methyl]-3-oxidanylidene-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-olate Openeye Name: (2Z)-7-[(dibutylammonio)methyl]-3-oxo-2-(3-pyridylmethylene)benzofuran-6-olate CAS Name: (2Z)-7-[(dibutylammonio)methyl]-3-oxo-2-(3-pyridinylmethylidene)-6-benzofuranolate IUPAC Name: (2Z)-7-[(dibutylazaniumyl)methyl]-3-oxo-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-olate Traditional Name: (2Z)-7-[(dibutylammonio)methyl]-3-keto-2-(3-pyridylmethylene)coumaran-6-olate Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O3/c1-3-5-12-25(13-6-4-2)16-19-20(26)10-9-18-22(27)21(28-23(18)19)14-17-8-7-11-24-15-17/h7-11,14-15,26H,3-6,12-13,16H2,1-2H3/b21-14-