(2Z)-7-[(dimethylazaniumyl)methyl]-2-[(2-methyl-2H-chromen-3-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate

Systemtic Name: (2Z)-7-[(dimethylazaniumyl)methyl]-2-[(2-methyl-2H-chromen-3-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-7-[(dimethylammonio)methyl]-2-[(2-methyl-2H-chromen-3-yl)methylene]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-[(dimethylammonio)methyl]-2-[(2-methyl-2H-1-benzopyran-3-yl)methylidene]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-7-[(dimethylazaniumyl)methyl]-2-[(2-methyl-2H-chromen-3-yl)methylidene]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-7-[(dimethylammonio)methyl]-3-keto-2-[(2-methyl-2H-chromen-3-yl)methylene]coumaran-6-olate Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=CC2=CC=CC=C2O1)C=C3C(=O)C4=C(O3)C(=C(C=C4)[O-])C[NH+](C)C

Isomeric SMILES

CC1C(=CC2=CC=CC=C2O1)/C=C\3/C(=O)C4=C(O3)C(=C(C=C4)[O-])C[NH+](C)C

InChI

InChI=1S/C22H21NO4/c1-13-15(10-14-6-4-5-7-19(14)26-13)11-20-21(25)16-8-9-18(24)17(12-23(2)3)22(16)27-20/h4-11,13,24H,12H2,1-3H3/b20-11-