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

Systemtic Name: bis(cyanomethyl)-[[(2Z)-2-(1H-indol-3-ylmethylidene)-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]azanium Openeye Name: bis(cyanomethyl)-[[(2Z)-6-hydroxy-2-(1H-indol-3-ylmethylene)-3-oxo-benzofuran-7-yl]methyl]ammonium CAS Name: bis(cyanomethyl)-[[(2Z)-6-hydroxy-2-(1H-indol-3-ylmethylidene)-3-oxo-7-benzofuranyl]methyl]ammonium IUPAC Name: bis(cyanomethyl)-[[(2Z)-6-hydroxy-2-(1H-indol-3-ylmethylidene)-3-oxo-1-benzofuran-7-yl]methyl]azanium Traditional Name: bis(cyanomethyl)-[[(2Z)-6-hydroxy-2-(1H-indol-3-ylmethylene)-3-keto-coumaran-7-yl]methyl]ammonium Formula: C22H17N4O3+ MolecularWeight: 385.39538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C=C3C(=O)C4=C(O3)C(=C(C=C4)O)C[NH+](CC#N)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)/C=C\3/C(=O)C4=C(O3)C(=C(C=C4)O)C[NH+](CC#N)CC#N

InChI

InChI=1S/C22H16N4O3/c23-7-9-26(10-8-24)13-17-19(27)6-5-16-21(28)20(29-22(16)17)11-14-12-25-18-4-2-1-3-15(14)18/h1-6,11-12,25,27H,9-10,13H2/p+1/b20-11-