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

Systemtic Name: (2Z)-7-(morpholin-4-ium-4-ylmethyl)-2-[(3-nitrophenyl)methylidene]-6-oxidanyl-1-benzofuran-3-one Openeye Name: (2Z)-6-hydroxy-7-(morpholin-4-ium-4-ylmethyl)-2-[(3-nitrophenyl)methylene]benzofuran-3-one CAS Name: (2Z)-6-hydroxy-7-(4-morpholin-4-iumylmethyl)-2-[(3-nitrophenyl)methylidene]-3-benzofuranone IUPAC Name: (2Z)-6-hydroxy-7-(morpholin-4-ium-4-ylmethyl)-2-[(3-nitrophenyl)methylidene]-1-benzofuran-3-one Traditional Name: (2Z)-6-hydroxy-7-(morpholin-4-ium-4-ylmethyl)-2-(3-nitrobenzylidene)coumaran-3-one Formula: C20H19N2O6+ MolecularWeight: 383.37466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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