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

Systemtic Name: 2-[(4-nitrophenyl)methylidene]-6-oxidanyl-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-one Openeye Name: 6-hydroxy-2-[(4-nitrophenyl)methylene]-7-(pyrrolidin-1-ylmethyl)benzofuran-3-one CAS Name: 6-hydroxy-2-[(4-nitrophenyl)methylidene]-7-(1-pyrrolidinylmethyl)-3-benzofuranone IUPAC Name: 6-hydroxy-2-[(4-nitrophenyl)methylidene]-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-one Traditional Name: 6-hydroxy-2-(4-nitrobenzylidene)-7-(pyrrolidinomethyl)coumaran-3-one Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=C(C=CC3=C2OC(=CC4=CC=C(C=C4)[N+](=O)[O-])C3=O)O

Isomeric SMILES

C1CCN(C1)CC2=C(C=CC3=C2OC(=CC4=CC=C(C=C4)[N+](=O)[O-])C3=O)O

InChI

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