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

Systemtic Name: bis(cyanomethyl)-[[(2Z)-6-oxidanyl-3-oxidanylidene-2-[(4-propan-2-ylphenyl)methylidene]-1-benzofuran-7-yl]methyl]azanium Openeye Name: bis(cyanomethyl)-[[(2Z)-6-hydroxy-2-[(4-isopropylphenyl)methylene]-3-oxo-benzofuran-7-yl]methyl]ammonium CAS Name: bis(cyanomethyl)-[[(2Z)-6-hydroxy-3-oxo-2-[(4-propan-2-ylphenyl)methylidene]-7-benzofuranyl]methyl]ammonium IUPAC Name: bis(cyanomethyl)-[[(2Z)-6-hydroxy-3-oxo-2-[(4-propan-2-ylphenyl)methylidene]-1-benzofuran-7-yl]methyl]azanium Traditional Name: bis(cyanomethyl)-[[(2Z)-6-hydroxy-2-(4-isopropylbenzylidene)-3-keto-coumaran-7-yl]methyl]ammonium Formula: C23H22N3O3+ MolecularWeight: 388.43908

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Descriptors Computed from Structure

Canonical SMILES:

CC(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)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/C23H21N3O3/c1-15(2)17-5-3-16(4-6-17)13-21-22(28)18-7-8-20(27)19(23(18)29-21)14-26(11-9-24)12-10-25/h3-8,13,15,27H,11-12,14H2,1-2H3/p+1/b21-13-