bis(cyanomethyl)-[[(2Z)-6-oxidanyl-3-oxidanylidene-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-7-yl]methyl]azanium

Systemtic Name: bis(cyanomethyl)-[[(2Z)-6-oxidanyl-3-oxidanylidene-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-7-yl]methyl]azanium Openeye Name: bis(cyanomethyl)-[[(2Z)-6-hydroxy-3-oxo-2-[(E)-3-phenylprop-2-enylidene]benzofuran-7-yl]methyl]ammonium CAS Name: bis(cyanomethyl)-[[(2Z)-6-hydroxy-3-oxo-2-[(E)-3-phenylprop-2-enylidene]-7-benzofuranyl]methyl]ammonium IUPAC Name: bis(cyanomethyl)-[[(2Z)-6-hydroxy-3-oxo-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-7-yl]methyl]azanium Traditional Name: bis(cyanomethyl)-[[(2Z)-6-hydroxy-3-keto-2-[(E)-3-phenylprop-2-enylidene]coumaran-7-yl]methyl]ammonium Formula: C22H18N3O3+ MolecularWeight: 372.39662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O3/c23-11-13-25(14-12-24)15-18-19(26)10-9-17-21(27)20(28-22(17)18)8-4-7-16-5-2-1-3-6-16/h1-10,26H,13-15H2/p+1/b7-4+,20-8-