dimethyl-[[(2E)-2-[(4-nitrophenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]azanium

Systemtic Name: dimethyl-[[(2E)-2-[(4-nitrophenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]azanium Openeye Name: [(2E)-6-hydroxy-2-[(4-nitrophenyl)methylene]-3-oxo-benzofuran-7-yl]methyl-dimethyl-ammonium CAS Name: [(2E)-6-hydroxy-2-[(4-nitrophenyl)methylidene]-3-oxo-7-benzofuranyl]methyl-dimethylammonium IUPAC Name: [(2E)-6-hydroxy-2-[(4-nitrophenyl)methylidene]-3-oxo-1-benzofuran-7-yl]methyl-dimethylazanium Traditional Name: [(2E)-6-hydroxy-3-keto-2-(4-nitrobenzylidene)coumaran-7-yl]methyl-dimethyl-ammonium Formula: C18H17N2O5+ MolecularWeight: 341.33798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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