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

Systemtic Name: (2Z)-7-[(dimethylazaniumyl)methyl]-2-[(1-ethylindol-3-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-7-[(dimethylammonio)methyl]-2-[(1-ethylindol-3-yl)methylene]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-[(dimethylammonio)methyl]-2-[(1-ethyl-3-indolyl)methylidene]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-7-[(dimethylazaniumyl)methyl]-2-[(1-ethylindol-3-yl)methylidene]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-7-[(dimethylammonio)methyl]-2-[(1-ethylindol-3-yl)methylene]-3-keto-coumaran-6-olate Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)C=C3C(=O)C4=C(O3)C(=C(C=C4)[O-])C[NH+](C)C

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)/C=C\3/C(=O)C4=C(O3)C(=C(C=C4)[O-])C[NH+](C)C

InChI

InChI=1S/C22H22N2O3/c1-4-24-12-14(15-7-5-6-8-18(15)24)11-20-21(26)16-9-10-19(25)17(13-23(2)3)22(16)27-20/h5-12,25H,4,13H2,1-3H3/b20-11-