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

Systemtic Name: bis(cyanomethyl)-[[(2Z)-2-[(4-methylphenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]azanium Openeye Name: bis(cyanomethyl)-[[(2Z)-6-hydroxy-3-oxo-2-(p-tolylmethylene)benzofuran-7-yl]methyl]ammonium CAS Name: bis(cyanomethyl)-[[(2Z)-6-hydroxy-2-[(4-methylphenyl)methylidene]-3-oxo-7-benzofuranyl]methyl]ammonium IUPAC Name: bis(cyanomethyl)-[[(2Z)-6-hydroxy-2-[(4-methylphenyl)methylidene]-3-oxo-1-benzofuran-7-yl]methyl]azanium Traditional Name: bis(cyanomethyl)-[[(2Z)-6-hydroxy-3-keto-2-(4-methylbenzylidene)coumaran-7-yl]methyl]ammonium Formula: C21H18N3O3+ MolecularWeight: 360.38592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+](CC#N)CC#N

Isomeric SMILES

CC1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+](CC#N)CC#N

InChI

InChI=1S/C21H17N3O3/c1-14-2-4-15(5-3-14)12-19-20(26)16-6-7-18(25)17(21(16)27-19)13-24(10-8-22)11-9-23/h2-7,12,25H,10-11,13H2,1H3/p+1/b19-12-