bis(cyanomethyl)-[[(2Z)-2-[(4-nitrophenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]azanium

Systemtic Name: bis(cyanomethyl)-[[(2Z)-2-[(4-nitrophenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]azanium Openeye Name: bis(cyanomethyl)-[[(2Z)-6-hydroxy-2-[(4-nitrophenyl)methylene]-3-oxo-benzofuran-7-yl]methyl]ammonium CAS Name: bis(cyanomethyl)-[[(2Z)-6-hydroxy-2-[(4-nitrophenyl)methylidene]-3-oxo-7-benzofuranyl]methyl]ammonium IUPAC Name: bis(cyanomethyl)-[[(2Z)-6-hydroxy-2-[(4-nitrophenyl)methylidene]-3-oxo-1-benzofuran-7-yl]methyl]azanium Traditional Name: bis(cyanomethyl)-[[(2Z)-6-hydroxy-3-keto-2-(4-nitrobenzylidene)coumaran-7-yl]methyl]ammonium Formula: C20H15N4O5+ MolecularWeight: 391.3569

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C2C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+](CC#N)CC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+](CC#N)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C20H14N4O5/c21-7-9-23(10-8-22)12-16-17(25)6-5-15-19(26)18(29-20(15)16)11-13-1-3-14(4-2-13)24(27)28/h1-6,11,25H,9-10,12H2/p+1/b18-11-