7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-[(3-nitrophenyl)methylidene]-6-oxidanyl-1-benzofuran-3-one

Systemtic Name: 7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-[(3-nitrophenyl)methylidene]-6-oxidanyl-1-benzofuran-3-one Openeye Name: 6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-[(3-nitrophenyl)methylene]benzofuran-3-one CAS Name: 6-hydroxy-7-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-2-[(3-nitrophenyl)methylidene]-3-benzofuranone IUPAC Name: 6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-[(3-nitrophenyl)methylidene]-1-benzofuran-3-one Traditional Name: 6-hydroxy-7-[[4-(2-hydroxyethyl)piperazino]methyl]-2-(3-nitrobenzylidene)coumaran-3-one Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)CC2=C(C=CC3=C2OC(=CC4=CC(=CC=C4)[N+](=O)[O-])C3=O)O

Isomeric SMILES

C1CN(CCN1CCO)CC2=C(C=CC3=C2OC(=CC4=CC(=CC=C4)[N+](=O)[O-])C3=O)O

InChI

InChI=1S/C22H23N3O6/c26-11-10-23-6-8-24(9-7-23)14-18-19(27)5-4-17-21(28)20(31-22(17)18)13-15-2-1-3-16(12-15)25(29)30/h1-5,12-13,26-27H,6-11,14H2