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

Systemtic Name: diethyl-[[(2E)-2-[(3-nitrophenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]azanium Openeye Name: diethyl-[[(2E)-6-hydroxy-2-[(3-nitrophenyl)methylene]-3-oxo-benzofuran-7-yl]methyl]ammonium CAS Name: diethyl-[[(2E)-6-hydroxy-2-[(3-nitrophenyl)methylidene]-3-oxo-7-benzofuranyl]methyl]ammonium IUPAC Name: diethyl-[[(2E)-6-hydroxy-2-[(3-nitrophenyl)methylidene]-3-oxo-1-benzofuran-7-yl]methyl]azanium Traditional Name: diethyl-[[(2E)-6-hydroxy-3-keto-2-(3-nitrobenzylidene)coumaran-7-yl]methyl]ammonium Formula: C20H21N2O5+ MolecularWeight: 369.39114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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