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

Systemtic Name: (2Z)-7-(morpholin-4-ium-4-ylmethyl)-2-[(4-nitrophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-7-(morpholin-4-ium-4-ylmethyl)-2-[(4-nitrophenyl)methylene]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-(4-morpholin-4-iumylmethyl)-2-[(4-nitrophenyl)methylidene]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-7-(morpholin-4-ium-4-ylmethyl)-2-[(4-nitrophenyl)methylidene]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-3-keto-7-(morpholin-4-ium-4-ylmethyl)-2-(4-nitrobenzylidene)coumaran-6-olate Formula: C20H18N2O6 MolecularWeight: 382.36672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=C(C=CC3=C2OC(=CC4=CC=C(C=C4)[N+](=O)[O-])C3=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CC2=C(C=CC3=C2O/C(=C\C4=CC=C(C=C4)[N+](=O)[O-])/C3=O)[O-]

InChI

InChI=1S/C20H18N2O6/c23-17-6-5-15-19(24)18(11-13-1-3-14(4-2-13)22(25)26)28-20(15)16(17)12-21-7-9-27-10-8-21/h1-6,11,23H,7-10,12H2/b18-11-