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(2Z)-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate
(2Z)-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate
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Canonical SMILES:
CN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=CC(=CC=C4)[N+](=O)[O-])C3=O)[O-]
Isomeric SMILES
CN1CC[NH+](CC1)CC2=C(C=CC3=C2O/C(=C\C4=CC(=CC=C4)[N+](=O)[O-])/C3=O)[O-]
InChI
InChI=1S/C21H21N3O5/c1-22-7-9-23(10-8-22)13-17-18(25)6-5-16-20(26)19(29-21(16)17)12-14-3-2-4-15(11-14)24(27)28/h2-6,11-12,25H,7-10,13H2,1H3/b19-12-
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