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

Systemtic Name: (2Z)-2-[(4-chlorophenyl)methylidene]-4-methyl-7-(morpholin-4-ium-4-ylmethyl)-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(4-chlorophenyl)methylene]-4-methyl-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-[(4-chlorophenyl)methylidene]-4-methyl-7-(4-morpholin-4-iumylmethyl)-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-[(4-chlorophenyl)methylidene]-4-methyl-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-(4-chlorobenzylidene)-3-keto-4-methyl-7-(morpholin-4-ium-4-ylmethyl)coumaran-6-olate Formula: C21H20ClNO4 MolecularWeight: 385.8408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)C(=CC3=CC=C(C=C3)Cl)O2)C[NH+]4CCOCC4)[O-]

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)/C(=C/C3=CC=C(C=C3)Cl)/O2)C[NH+]4CCOCC4)[O-]

InChI

InChI=1S/C21H20ClNO4/c1-13-10-17(24)16(12-23-6-8-26-9-7-23)21-19(13)20(25)18(27-21)11-14-2-4-15(22)5-3-14/h2-5,10-11,24H,6-9,12H2,1H3/b18-11-