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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=CC4=CC(=CC=C4)[N+](=O)[O-])C3=O)[O-]

Isomeric SMILES

CC1CCC[NH+](C1)CC2=C(C=CC3=C2O/C(=C\C4=CC(=CC=C4)[N+](=O)[O-])/C3=O)[O-]

InChI

InChI=1S/C22H22N2O5/c1-14-4-3-9-23(12-14)13-18-19(25)8-7-17-21(26)20(29-22(17)18)11-15-5-2-6-16(10-15)24(27)28/h2,5-8,10-11,14,25H,3-4,9,12-13H2,1H3/b20-11-