(2Z)-7-[[bis(2-methylpropyl)azaniumyl]methyl]-3-oxidanylidene-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-olate

Systemtic Name: (2Z)-7-[[bis(2-methylpropyl)azaniumyl]methyl]-3-oxidanylidene-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-olate Openeye Name: (2Z)-7-[(diisobutylammonio)methyl]-3-oxo-2-(4-pyridylmethylene)benzofuran-6-olate CAS Name: (2Z)-7-[[bis(2-methylpropyl)ammonio]methyl]-3-oxo-2-(pyridin-4-ylmethylidene)-6-benzofuranolate IUPAC Name: (2Z)-7-[[bis(2-methylpropyl)azaniumyl]methyl]-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-olate Traditional Name: (2Z)-7-[(diisobutylammonio)methyl]-3-keto-2-(4-pyridylmethylene)coumaran-6-olate Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O3/c1-15(2)12-25(13-16(3)4)14-19-20(26)6-5-18-22(27)21(28-23(18)19)11-17-7-9-24-10-8-17/h5-11,15-16,26H,12-14H2,1-4H3/b21-11-