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

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

CC1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=CC(=CC=C4)[N+](=O)[O-])C3=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)CC2=C(C=CC3=C2O/C(=C\C4=CC(=CC=C4)[N+](=O)[O-])/C3=O)[O-]

InChI

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