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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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