(2Z)-5-[(dimethylazaniumyl)methyl]-2-[(4-methoxyphenyl)methylidene]-7-methyl-3-oxidanylidene-1-benzofuran-6-olate

Systemtic Name: (2Z)-5-[(dimethylazaniumyl)methyl]-2-[(4-methoxyphenyl)methylidene]-7-methyl-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-5-[(dimethylammonio)methyl]-2-[(4-methoxyphenyl)methylene]-7-methyl-3-oxo-benzofuran-6-olate CAS Name: (2Z)-5-[(dimethylammonio)methyl]-2-[(4-methoxyphenyl)methylidene]-7-methyl-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-5-[(dimethylazaniumyl)methyl]-2-[(4-methoxyphenyl)methylidene]-7-methyl-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-5-[(dimethylammonio)methyl]-3-keto-7-methyl-2-p-anisylidene-coumaran-6-olate Formula: C20H21NO4 MolecularWeight: 339.38504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1[O-])C[NH+](C)C)C(=O)C(=CC3=CC=C(C=C3)OC)O2

Isomeric SMILES

CC1=C2C(=CC(=C1[O-])C[NH+](C)C)C(=O)/C(=C/C3=CC=C(C=C3)OC)/O2

InChI

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