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

Systemtic Name: [(2Z)-2-[(4-tert-butylphenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-bis(cyanomethyl)azanium Openeye Name: [(2Z)-2-[(4-tert-butylphenyl)methylene]-6-hydroxy-3-oxo-benzofuran-7-yl]methyl-bis(cyanomethyl)ammonium CAS Name: [(2Z)-2-[(4-tert-butylphenyl)methylidene]-6-hydroxy-3-oxo-7-benzofuranyl]methyl-bis(cyanomethyl)ammonium IUPAC Name: [(2Z)-2-[(4-tert-butylphenyl)methylidene]-6-hydroxy-3-oxo-1-benzofuran-7-yl]methyl-bis(cyanomethyl)azanium Traditional Name: [(2Z)-2-(4-tert-butylbenzylidene)-6-hydroxy-3-keto-coumaran-7-yl]methyl-bis(cyanomethyl)ammonium Formula: C24H24N3O3+ MolecularWeight: 402.46566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)C1=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/C24H23N3O3/c1-24(2,3)17-6-4-16(5-7-17)14-21-22(29)18-8-9-20(28)19(23(18)30-21)15-27(12-10-25)13-11-26/h4-9,14,28H,12-13,15H2,1-3H3/p+1/b21-14-