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

Systemtic Name: (2Z)-2-[(4-ethylphenyl)methylidene]-7-(morpholin-4-ium-4-ylmethyl)-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(4-ethylphenyl)methylene]-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-[(4-ethylphenyl)methylidene]-7-(4-morpholin-4-iumylmethyl)-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-[(4-ethylphenyl)methylidene]-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-(4-ethylbenzylidene)-3-keto-7-(morpholin-4-ium-4-ylmethyl)coumaran-6-olate Formula: C22H23NO4 MolecularWeight: 365.42232

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)[O-])C[NH+]4CCOCC4

Isomeric SMILES

CCC1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)[O-])C[NH+]4CCOCC4

InChI

InChI=1S/C22H23NO4/c1-2-15-3-5-16(6-4-15)13-20-21(25)17-7-8-19(24)18(22(17)27-20)14-23-9-11-26-12-10-23/h3-8,13,24H,2,9-12,14H2,1H3/b20-13-