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

Systemtic Name: bis(cyanomethyl)-[[(2Z)-2-[(3-methylphenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]azanium Openeye Name: bis(cyanomethyl)-[[(2Z)-6-hydroxy-2-(m-tolylmethylene)-3-oxo-benzofuran-7-yl]methyl]ammonium CAS Name: bis(cyanomethyl)-[[(2Z)-6-hydroxy-2-[(3-methylphenyl)methylidene]-3-oxo-7-benzofuranyl]methyl]ammonium IUPAC Name: bis(cyanomethyl)-[[(2Z)-6-hydroxy-2-[(3-methylphenyl)methylidene]-3-oxo-1-benzofuran-7-yl]methyl]azanium Traditional Name: bis(cyanomethyl)-[[(2Z)-6-hydroxy-3-keto-2-(3-methylbenzylidene)coumaran-7-yl]methyl]ammonium Formula: C21H18N3O3+ MolecularWeight: 360.38592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+](CC#N)CC#N

Isomeric SMILES

CC1=CC=CC(=C1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+](CC#N)CC#N

InChI

InChI=1S/C21H17N3O3/c1-14-3-2-4-15(11-14)12-19-20(26)16-5-6-18(25)17(21(16)27-19)13-24(9-7-22)10-8-23/h2-6,11-12,25H,9-10,13H2,1H3/p+1/b19-12-