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

Systemtic Name: bis(cyanomethyl)-[[(2Z)-2-[(4-ethylphenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]azanium Openeye Name: bis(cyanomethyl)-[[(2Z)-2-[(4-ethylphenyl)methylene]-6-hydroxy-3-oxo-benzofuran-7-yl]methyl]ammonium CAS Name: bis(cyanomethyl)-[[(2Z)-2-[(4-ethylphenyl)methylidene]-6-hydroxy-3-oxo-7-benzofuranyl]methyl]ammonium IUPAC Name: bis(cyanomethyl)-[[(2Z)-2-[(4-ethylphenyl)methylidene]-6-hydroxy-3-oxo-1-benzofuran-7-yl]methyl]azanium Traditional Name: bis(cyanomethyl)-[[(2Z)-2-(4-ethylbenzylidene)-6-hydroxy-3-keto-coumaran-7-yl]methyl]ammonium Formula: C22H20N3O3+ MolecularWeight: 374.4125

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+](CC#N)CC#N

Isomeric SMILES

CCC1=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/C22H19N3O3/c1-2-15-3-5-16(6-4-15)13-20-21(27)17-7-8-19(26)18(22(17)28-20)14-25(11-9-23)12-10-24/h3-8,13,26H,2,11-12,14H2,1H3/p+1/b20-13-