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

Systemtic Name: (2Z)-7-[(diethylazaniumyl)methyl]-2-[(4-nitrophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-7-[(diethylammonio)methyl]-2-[(4-nitrophenyl)methylene]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-[(diethylammonio)methyl]-2-[(4-nitrophenyl)methylidene]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-7-[(diethylazaniumyl)methyl]-2-[(4-nitrophenyl)methylidene]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-7-[(diethylammonio)methyl]-3-keto-2-(4-nitrobenzylidene)coumaran-6-olate Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C=CC2=C1OC(=CC3=CC=C(C=C3)[N+](=O)[O-])C2=O)[O-]

Isomeric SMILES

CC[NH+](CC)CC1=C(C=CC2=C1O/C(=C\C3=CC=C(C=C3)[N+](=O)[O-])/C2=O)[O-]

InChI

InChI=1S/C20H20N2O5/c1-3-21(4-2)12-16-17(23)10-9-15-19(24)18(27-20(15)16)11-13-5-7-14(8-6-13)22(25)26/h5-11,23H,3-4,12H2,1-2H3/b18-11-