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

Systemtic Name: (2Z)-2-[(3-nitrophenyl)methylidene]-6-oxidanyl-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Openeye Name: (2Z)-6-hydroxy-2-[(3-nitrophenyl)methylene]-7-(pyrrolidin-1-ium-1-ylmethyl)benzofuran-3-one CAS Name: (2Z)-6-hydroxy-2-[(3-nitrophenyl)methylidene]-7-(1-pyrrolidin-1-iumylmethyl)-3-benzofuranone IUPAC Name: (2Z)-6-hydroxy-2-[(3-nitrophenyl)methylidene]-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Traditional Name: (2Z)-6-hydroxy-2-(3-nitrobenzylidene)-7-(pyrrolidin-1-ium-1-ylmethyl)coumaran-3-one Formula: C20H19N2O5+ MolecularWeight: 367.37526

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=C(C=CC3=C2OC(=CC4=CC(=CC=C4)[N+](=O)[O-])C3=O)O

Isomeric SMILES

C1CC[NH+](C1)CC2=C(C=CC3=C2O/C(=C\C4=CC(=CC=C4)[N+](=O)[O-])/C3=O)O

InChI

InChI=1S/C20H18N2O5/c23-17-7-6-15-19(24)18(11-13-4-3-5-14(10-13)22(25)26)27-20(15)16(17)12-21-8-1-2-9-21/h3-7,10-11,23H,1-2,8-9,12H2/p+1/b18-11-