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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CCN(C1)CC2=C(C=CC3=C2OC(=CC4=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