(2Z)-2-[(2-methylphenyl)methylidene]-7-(morpholin-4-ium-4-ylmethyl)-3-oxidanylidene-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-[(2-methylphenyl)methylidene]-7-(morpholin-4-ium-4-ylmethyl)-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-7-(morpholin-4-ium-4-ylmethyl)-2-(o-tolylmethylene)-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-[(2-methylphenyl)methylidene]-7-(4-morpholin-4-iumylmethyl)-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-[(2-methylphenyl)methylidene]-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-3-keto-2-(2-methylbenzylidene)-7-(morpholin-4-ium-4-ylmethyl)coumaran-6-olate Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=C2C(=O)C3=C(O2)C(=C(C=C3)[O-])C[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=CC=C1/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)[O-])C[NH+]4CCOCC4

InChI

InChI=1S/C21H21NO4/c1-14-4-2-3-5-15(14)12-19-20(24)16-6-7-18(23)17(21(16)26-19)13-22-8-10-25-11-9-22/h2-7,12,23H,8-11,13H2,1H3/b19-12-