Cromitrile
[CAS# 53736-51-9]

Identification

• Name: Cromitrile
• Synonyms: 4-[2-Hydroxy-3-[4-Oxo-2-(2H-Tetrazol-5-Yl)Chromen-5-Yl]Oxy-Propoxy]Benzonitrile; 4-[2-Hydroxy-3-[[4-Oxo-2-(2H-Tetrazol-5-Yl)-5-Chromenyl]Oxy]Propoxy]Benzonitrile; 4-[2-Hydroxy-3-[4-Keto-2-(2H-Tetrazol-5-Yl)Chromen-5-Yl]Oxy-Propoxy]Benzonitrile
• Molecular Formula: C₂₀H₁₅N₅O₅
• Molecular Weight: 405.37
• CAS Registry Number: 53736-51-9
• SMILES: C4=C(OCC(O)COC1=CC=C(C=C1)C#N)C2=C(OC(=CC2=O)C3=N[NH]N=N3)C=C4
• InChI: 1S/C20H15N5O5/c21-9-12-4-6-14(7-5-12)28-10-13(26)11-29-16-2-1-3-17-19(16)15(27)8-18(30-17)20-22-24-25-23-20/h1-8,13,26H,10-11H2,(H,22,23,24,25)
• InChIKey: AQMBNKMVOOFSOJ-UHFFFAOYSA-N