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

Systemtic Name: (2Z)-7-[(dimethylazaniumyl)methyl]-2-[(3-methoxyphenyl)methylidene]-4-methyl-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-7-[(dimethylammonio)methyl]-2-[(3-methoxyphenyl)methylene]-4-methyl-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-[(dimethylammonio)methyl]-2-[(3-methoxyphenyl)methylidene]-4-methyl-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-7-[(dimethylazaniumyl)methyl]-2-[(3-methoxyphenyl)methylidene]-4-methyl-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-7-[(dimethylammonio)methyl]-3-keto-2-m-anisylidene-4-methyl-coumaran-6-olate Formula: C20H21NO4 MolecularWeight: 339.38504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)C(=CC3=CC(=CC=C3)OC)O2)C[NH+](C)C)[O-]

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)/C(=C/C3=CC(=CC=C3)OC)/O2)C[NH+](C)C)[O-]

InChI

InChI=1S/C20H21NO4/c1-12-8-16(22)15(11-21(2)3)20-18(12)19(23)17(25-20)10-13-6-5-7-14(9-13)24-4/h5-10,22H,11H2,1-4H3/b17-10-