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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

Systemtic Name:(2Z)-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate
Openeye Name:(2Z)-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-[(3-nitrophenyl)methylene]-3-oxo-benzofuran-6-olate
CAS Name:(2Z)-7-[(4-methyl-1-piperazin-1-iumyl)methyl]-2-[(3-nitrophenyl)methylidene]-3-oxo-6-benzofuranolate
IUPAC Name:(2Z)-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-[(3-nitrophenyl)methylidene]-3-oxo-1-benzofuran-6-olate
Traditional Name:(2Z)-3-keto-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-(3-nitrobenzylidene)coumaran-6-olate
Formula: C21H21N3O5
MolecularWeight: 395.40854
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Descriptors Computed from Structure

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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