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

Systemtic Name: 2-[(3-nitrophenyl)methylidene]-6-oxidanyl-7-(piperidin-1-ylmethyl)-1-benzofuran-3-one Openeye Name: 6-hydroxy-2-[(3-nitrophenyl)methylene]-7-(1-piperidylmethyl)benzofuran-3-one CAS Name: 6-hydroxy-2-[(3-nitrophenyl)methylidene]-7-(1-piperidinylmethyl)-3-benzofuranone IUPAC Name: 6-hydroxy-2-[(3-nitrophenyl)methylidene]-7-(piperidin-1-ylmethyl)-1-benzofuran-3-one Traditional Name: 6-hydroxy-2-(3-nitrobenzylidene)-7-(piperidinomethyl)coumaran-3-one Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=C(C=CC3=C2OC(=CC4=CC(=CC=C4)[N+](=O)[O-])C3=O)O

Isomeric SMILES

C1CCN(CC1)CC2=C(C=CC3=C2OC(=CC4=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