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

Systemtic Name: (2Z)-7-[(dimethylazaniumyl)methyl]-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-7-[(dimethylammonio)methyl]-2-[(3-nitrophenyl)methylene]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-[(dimethylammonio)methyl]-2-[(3-nitrophenyl)methylidene]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-7-[(dimethylazaniumyl)methyl]-2-[(3-nitrophenyl)methylidene]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-7-[(dimethylammonio)methyl]-3-keto-2-(3-nitrobenzylidene)coumaran-6-olate Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O5/c1-19(2)10-14-15(21)7-6-13-17(22)16(25-18(13)14)9-11-4-3-5-12(8-11)20(23)24/h3-9,21H,10H2,1-2H3/b16-9-