(2Z)-7-[(dimethylazaniumyl)methyl]-3-oxidanylidene-2-[(4-propan-2-ylphenyl)methylidene]-1-benzofuran-6-olate

Systemtic Name: (2Z)-7-[(dimethylazaniumyl)methyl]-3-oxidanylidene-2-[(4-propan-2-ylphenyl)methylidene]-1-benzofuran-6-olate Openeye Name: (2Z)-7-[(dimethylammonio)methyl]-2-[(4-isopropylphenyl)methylene]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-[(dimethylammonio)methyl]-3-oxo-2-[(4-propan-2-ylphenyl)methylidene]-6-benzofuranolate IUPAC Name: (2Z)-7-[(dimethylazaniumyl)methyl]-3-oxo-2-[(4-propan-2-ylphenyl)methylidene]-1-benzofuran-6-olate Traditional Name: (2Z)-7-[(dimethylammonio)methyl]-2-(4-isopropylbenzylidene)-3-keto-coumaran-6-olate Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)[O-])C[NH+](C)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)[O-])C[NH+](C)C

InChI

InChI=1S/C21H23NO3/c1-13(2)15-7-5-14(6-8-15)11-19-20(24)16-9-10-18(23)17(12-22(3)4)21(16)25-19/h5-11,13,23H,12H2,1-4H3/b19-11-