[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-bis(cyanomethyl)azanium

Systemtic Name: [(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-bis(cyanomethyl)azanium Openeye Name: [(2Z)-2-(1,3-benzodioxol-5-ylmethylene)-6-hydroxy-3-oxo-benzofuran-7-yl]methyl-bis(cyanomethyl)ammonium CAS Name: [(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-6-hydroxy-3-oxo-7-benzofuranyl]methyl-bis(cyanomethyl)ammonium IUPAC Name: [(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-6-hydroxy-3-oxo-1-benzofuran-7-yl]methyl-bis(cyanomethyl)azanium Traditional Name: bis(cyanomethyl)-[[(2Z)-6-hydroxy-3-keto-2-piperonylidene-coumaran-7-yl]methyl]ammonium Formula: C21H16N3O5+ MolecularWeight: 390.36884

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C3C(=O)C4=C(O3)C(=C(C=C4)O)C[NH+](CC#N)CC#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C\3/C(=O)C4=C(O3)C(=C(C=C4)O)C[NH+](CC#N)CC#N

InChI

InChI=1S/C21H15N3O5/c22-5-7-24(8-6-23)11-15-16(25)3-2-14-20(26)19(29-21(14)15)10-13-1-4-17-18(9-13)28-12-27-17/h1-4,9-10,25H,7-8,11-12H2/p+1/b19-10-