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

Systemtic Name: (2Z)-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-[(4-nitrophenyl)methylidene]-6-oxidanyl-1-benzofuran-3-one Openeye Name: (2Z)-6-hydroxy-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-[(4-nitrophenyl)methylene]benzofuran-3-one CAS Name: (2Z)-6-hydroxy-7-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-2-[(4-nitrophenyl)methylidene]-3-benzofuranone IUPAC Name: (2Z)-6-hydroxy-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-[(4-nitrophenyl)methylidene]-1-benzofuran-3-one Traditional Name: (2Z)-6-hydroxy-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-(4-nitrobenzylidene)coumaran-3-one Formula: C21H23N3O5+2 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5/c1-22-8-10-23(11-9-22)13-17-18(25)7-6-16-20(26)19(29-21(16)17)12-14-2-4-15(5-3-14)24(27)28/h2-7,12,25H,8-11,13H2,1H3/p+2/b19-12-