(2Z)-7-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-[(3-nitrophenyl)methylidene]-6-oxidanyl-1-benzofuran-3-one

Systemtic Name: (2Z)-7-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-[(3-nitrophenyl)methylidene]-6-oxidanyl-1-benzofuran-3-one Openeye Name: (2Z)-7-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-hydroxy-2-[(3-nitrophenyl)methylene]benzofuran-3-one CAS Name: (2Z)-7-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-6-hydroxy-2-[(3-nitrophenyl)methylidene]-3-benzofuranone IUPAC Name: (2Z)-7-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-hydroxy-2-[(3-nitrophenyl)methylidene]-1-benzofuran-3-one Traditional Name: (2Z)-7-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-hydroxy-2-(3-nitrobenzylidene)coumaran-3-one Formula: C22H25N3O5+2 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=CC(=CC=C4)[N+](=O)[O-])C3=O)O

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC2=C(C=CC3=C2O/C(=C\C4=CC(=CC=C4)[N+](=O)[O-])/C3=O)O

InChI

InChI=1S/C22H23N3O5/c1-2-23-8-10-24(11-9-23)14-18-19(26)7-6-17-21(27)20(30-22(17)18)13-15-4-3-5-16(12-15)25(28)29/h3-7,12-13,26H,2,8-11,14H2,1H3/p+2/b20-13-