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

Systemtic Name: (2Z)-2-[(3-methylphenyl)methylidene]-7-(morpholin-4-ium-4-ylmethyl)-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-7-(morpholin-4-ium-4-ylmethyl)-2-(m-tolylmethylene)-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-[(3-methylphenyl)methylidene]-7-(4-morpholin-4-iumylmethyl)-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-[(3-methylphenyl)methylidene]-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-3-keto-2-(3-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(=C1)C=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/c1-14-3-2-4-15(11-14)12-19-20(24)16-5-6-18(23)17(21(16)26-19)13-22-7-9-25-10-8-22/h2-6,11-12,23H,7-10,13H2,1H3/b19-12-