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

Systemtic Name: bis(cyanomethyl)-[[(2Z)-6-oxidanyl-3-oxidanylidene-2-(phenylmethylidene)-1-benzofuran-7-yl]methyl]azanium Openeye Name: [(2Z)-2-benzylidene-6-hydroxy-3-oxo-benzofuran-7-yl]methyl-bis(cyanomethyl)ammonium CAS Name: bis(cyanomethyl)-[[(2Z)-6-hydroxy-3-oxo-2-(phenylmethylene)-7-benzofuranyl]methyl]ammonium IUPAC Name: [(2Z)-2-benzylidene-6-hydroxy-3-oxo-1-benzofuran-7-yl]methyl-bis(cyanomethyl)azanium Traditional Name: [(2Z)-2-benzal-6-hydroxy-3-keto-coumaran-7-yl]methyl-bis(cyanomethyl)ammonium Formula: C20H16N3O3+ MolecularWeight: 346.35934

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H15N3O3/c21-8-10-23(11-9-22)13-16-17(24)7-6-15-19(25)18(26-20(15)16)12-14-4-2-1-3-5-14/h1-7,12,24H,10-11,13H2/p+1/b18-12-