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

Systemtic Name: (2Z)-2-[(3-nitrophenyl)methylidene]-6-oxidanyl-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Openeye Name: (2Z)-6-hydroxy-2-[(3-nitrophenyl)methylene]-7-(piperidin-1-ium-1-ylmethyl)benzofuran-3-one CAS Name: (2Z)-6-hydroxy-2-[(3-nitrophenyl)methylidene]-7-(1-piperidin-1-iumylmethyl)-3-benzofuranone IUPAC Name: (2Z)-6-hydroxy-2-[(3-nitrophenyl)methylidene]-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Traditional Name: (2Z)-6-hydroxy-2-(3-nitrobenzylidene)-7-(piperidin-1-ium-1-ylmethyl)coumaran-3-one Formula: C21H21N2O5+ MolecularWeight: 381.40184

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=CC(=CC=C4)[N+](=O)[O-])C3=O)O

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(C=CC3=C2O/C(=C\C4=CC(=CC=C4)[N+](=O)[O-])/C3=O)O

InChI

InChI=1S/C21H20N2O5/c24-18-8-7-16-20(25)19(12-14-5-4-6-15(11-14)23(26)27)28-21(16)17(18)13-22-9-2-1-3-10-22/h4-8,11-12,24H,1-3,9-10,13H2/p+1/b19-12-