(2Z)-7-[(2-methylpiperidin-1-ium-1-yl)methyl]-2-[(4-nitrophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate

Systemtic Name: (2Z)-7-[(2-methylpiperidin-1-ium-1-yl)methyl]-2-[(4-nitrophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-7-[(2-methylpiperidin-1-ium-1-yl)methyl]-2-[(4-nitrophenyl)methylene]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-[(2-methyl-1-piperidin-1-iumyl)methyl]-2-[(4-nitrophenyl)methylidene]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-7-[(2-methylpiperidin-1-ium-1-yl)methyl]-2-[(4-nitrophenyl)methylidene]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-3-keto-7-[(2-methylpiperidin-1-ium-1-yl)methyl]-2-(4-nitrobenzylidene)coumaran-6-olate Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=C(C=CC3=C2OC(=CC4=CC=C(C=C4)[N+](=O)[O-])C3=O)[O-]

Isomeric SMILES

CC1CCCC[NH+]1CC2=C(C=CC3=C2O/C(=C\C4=CC=C(C=C4)[N+](=O)[O-])/C3=O)[O-]

InChI

InChI=1S/C22H22N2O5/c1-14-4-2-3-11-23(14)13-18-19(25)10-9-17-21(26)20(29-22(17)18)12-15-5-7-16(8-6-15)24(27)28/h5-10,12,14,25H,2-4,11,13H2,1H3/b20-12-